REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1auw_1_C DATA FIRST_RESID 17 DATA SEQUENCE TDPIMEKLNS SIAYDQRLSE VDIQGSMAYA KALEKAGILT KTELEKILSG DATA SEQUENCE LEKISEEWSK GVFVVKQSDE DINTANERRL KELIGDIAGK LHTGRSRNDQ DATA SEQUENCE VVTDLKLFMK NSLSIISTHL LQLIKTLVER AAIEIDVILP GYTHLQKAQP DATA SEQUENCE IRWSQFLLSH AVALTRDSER LGEVKKRINV LPLGSGALAG NPLDIDREML DATA SEQUENCE RSELEFASIS LNSMDAISER DFVVEFLSFA TLLMIHLSKM AEDLIIYSTS DATA SEQUENCE EFGFLTDSDA FSTGSSLMPQ KKNPDSLELI RSKAGRVFGR LASILMVLKG DATA SEQUENCE LPSTYNKDLQ EDKEAVFDVV DTLTAVLQVA TGVISTLQIS KENMEKALTP DATA SEQUENCE EMLATDLALY LVRKGVPFRQ AHTASGKAVH LAETKGITIN KLSLEDLKSI DATA SEQUENCE SPQFSSDVSQ VFNFVNSVEQ YTALGGTAKS SVTTQIEQLR ELMKKQK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 17 T HA 0.000 nan 4.350 nan 0.000 0.228 17 T C 0.000 174.706 174.700 0.010 0.000 1.109 17 T CA 0.000 62.106 62.100 0.010 0.000 1.349 17 T CB 0.000 68.875 68.868 0.012 0.000 0.612 18 D N 2.671 123.077 120.400 0.010 0.000 2.455 18 D HA 0.193 4.834 4.640 0.001 0.000 0.241 18 D C -0.752 175.554 176.300 0.011 0.000 1.138 18 D CA -1.411 52.595 54.000 0.009 0.000 0.877 18 D CB 1.013 41.819 40.800 0.009 0.000 1.187 18 D HN 0.072 nan 8.370 nan 0.000 0.451 19 P HA -0.189 nan 4.420 nan 0.000 0.216 19 P C 1.484 178.793 177.300 0.014 0.000 1.153 19 P CA 1.311 64.418 63.100 0.012 0.000 0.858 19 P CB 0.118 31.825 31.700 0.010 0.000 0.789 20 I N -1.202 119.376 120.570 0.013 0.000 2.286 20 I HA -0.149 4.021 4.170 0.001 0.000 0.245 20 I C 2.896 179.023 176.117 0.016 0.000 1.104 20 I CA 1.160 62.468 61.300 0.015 0.000 1.397 20 I CB -0.552 37.455 38.000 0.012 0.000 1.072 20 I HN -0.128 nan 8.210 nan 0.000 0.417 21 M N 0.749 120.358 119.600 0.015 0.000 2.213 21 M HA -0.221 4.260 4.480 0.001 0.000 0.263 21 M C 2.098 178.409 176.300 0.020 0.000 1.062 21 M CA 1.845 57.154 55.300 0.016 0.000 1.105 21 M CB -0.082 32.527 32.600 0.014 0.000 1.385 21 M HN 0.185 nan 8.290 nan 0.000 0.417 22 E N -0.119 120.092 120.200 0.019 0.000 2.106 22 E HA -0.241 4.109 4.350 0.001 0.000 0.192 22 E C 1.947 178.562 176.600 0.023 0.000 0.984 22 E CA 1.127 57.539 56.400 0.020 0.000 0.806 22 E CB -0.145 29.565 29.700 0.016 0.000 0.750 22 E HN 0.504 nan 8.360 nan 0.000 0.458 23 K N 1.065 121.480 120.400 0.025 0.000 2.057 23 K HA -0.104 4.216 4.320 0.001 0.000 0.206 23 K C 2.115 178.739 176.600 0.040 0.000 1.050 23 K CA 0.751 57.057 56.287 0.031 0.000 0.935 23 K CB 0.021 32.539 32.500 0.029 0.000 0.715 23 K HN 0.091 nan 8.250 nan 0.000 0.439 24 L N 0.957 122.202 121.223 0.036 0.000 2.201 24 L HA -0.132 4.209 4.340 0.001 0.000 0.212 24 L C 1.968 178.867 176.870 0.049 0.000 1.105 24 L CA 0.662 55.527 54.840 0.042 0.000 0.775 24 L CB -0.329 41.747 42.059 0.028 0.000 0.913 24 L HN 0.276 nan 8.230 nan 0.000 0.440 25 N N -0.550 118.174 118.700 0.040 0.000 2.424 25 N HA -0.007 4.734 4.740 0.001 0.000 0.178 25 N C 0.367 175.897 175.510 0.034 0.000 1.060 25 N CA 0.169 53.243 53.050 0.040 0.000 0.901 25 N CB 0.326 38.833 38.487 0.032 0.000 0.979 25 N HN 0.097 nan 8.380 nan 0.000 0.451 26 S N -0.015 115.703 115.700 0.030 0.000 2.531 26 S HA 0.126 4.596 4.470 0.001 0.000 0.279 26 S C 1.135 175.721 174.600 -0.024 0.000 1.305 26 S CA -0.438 57.764 58.200 0.004 0.000 1.058 26 S CB 1.192 64.400 63.200 0.012 0.000 0.899 26 S HN 0.338 nan 8.310 nan 0.000 0.493 27 S N 1.700 117.311 115.700 -0.148 0.000 2.666 27 S HA 0.120 4.591 4.470 0.001 0.000 0.239 27 S C 1.228 175.465 174.600 -0.604 0.000 1.031 27 S CA -0.338 57.561 58.200 -0.502 0.000 1.015 27 S CB -0.411 62.529 63.200 -0.433 0.000 0.981 27 S HN 0.517 nan 8.310 nan 0.000 0.547 28 I N 3.110 123.525 120.570 -0.258 0.000 2.623 28 I HA -0.077 4.093 4.170 0.001 0.000 0.261 28 I C 2.285 178.320 176.117 -0.135 0.000 1.204 28 I CA 0.851 62.058 61.300 -0.155 0.000 1.444 28 I CB -0.578 37.402 38.000 -0.034 0.000 1.094 28 I HN 0.433 nan 8.210 nan 0.000 0.451 29 A N -0.061 122.670 122.820 -0.149 0.000 1.930 29 A HA -0.182 4.138 4.320 0.001 0.000 0.217 29 A C 1.968 179.584 177.584 0.054 0.000 1.175 29 A CA 2.036 54.073 52.037 -0.000 0.000 0.627 29 A CB -0.779 18.289 19.000 0.114 0.000 0.815 29 A HN 0.692 nan 8.150 nan 0.000 0.443 30 Y N -1.785 118.553 120.300 0.064 0.000 2.423 30 Y HA 0.245 4.796 4.550 0.000 0.000 0.257 30 Y C 1.040 176.985 175.900 0.074 0.000 1.087 30 Y CA -0.129 58.021 58.100 0.082 0.000 1.258 30 Y CB -0.170 38.391 38.460 0.167 0.000 1.237 30 Y HN 0.273 nan 8.280 nan 0.000 0.517 31 D N 0.803 121.053 120.400 -0.251 0.000 2.349 31 D HA -0.107 4.534 4.640 0.001 0.000 0.224 31 D C 1.210 177.376 176.300 -0.223 0.000 1.029 31 D CA 0.368 54.312 54.000 -0.094 0.000 0.879 31 D CB -0.216 40.491 40.800 -0.156 0.000 0.906 31 D HN 0.537 nan 8.370 nan 0.000 0.528 32 Q N 0.453 120.113 119.800 -0.234 0.000 2.152 32 Q HA -0.218 4.122 4.340 0.001 0.000 0.206 32 Q C 2.079 177.774 176.000 -0.510 0.000 0.985 32 Q CA 1.835 57.434 55.803 -0.340 0.000 0.863 32 Q CB -0.357 28.296 28.738 -0.142 0.000 0.904 32 Q HN 0.537 nan 8.270 nan 0.000 0.422 33 R N -0.036 120.213 120.500 -0.418 0.000 2.341 33 R HA -0.095 4.245 4.340 0.001 0.000 0.213 33 R C 1.031 177.078 176.300 -0.422 0.000 1.082 33 R CA 0.811 56.654 56.100 -0.428 0.000 1.017 33 R CB -0.068 29.945 30.300 -0.478 0.000 0.860 33 R HN 0.084 nan 8.270 nan 0.000 0.473 34 L N 1.685 122.657 121.223 -0.420 0.000 2.611 34 L HA 0.139 4.480 4.340 0.001 0.000 0.229 34 L C 1.743 178.415 176.870 -0.331 0.000 1.137 34 L CA 0.690 55.355 54.840 -0.291 0.000 0.901 34 L CB 0.306 42.257 42.059 -0.180 0.000 1.098 34 L HN 0.348 nan 8.230 nan 0.000 0.456 35 S N -1.173 114.180 115.700 -0.578 0.000 2.353 35 S HA -0.201 4.269 4.470 0.001 0.000 0.222 35 S C 1.738 176.063 174.600 -0.457 0.000 1.035 35 S CA 1.082 58.812 58.200 -0.783 0.000 1.025 35 S CB -0.267 61.817 63.200 -1.861 0.000 0.902 35 S HN 0.398 nan 8.310 nan 0.000 0.440 36 E N 1.321 121.313 120.200 -0.346 0.000 2.077 36 E HA -0.095 4.256 4.350 0.001 0.000 0.193 36 E C 2.531 179.078 176.600 -0.088 0.000 0.989 36 E CA 1.539 57.843 56.400 -0.159 0.000 0.800 36 E CB -0.823 28.818 29.700 -0.099 0.000 0.746 36 E HN 0.705 nan 8.360 nan 0.000 0.452 37 V N -0.415 119.455 119.914 -0.074 0.000 2.809 37 V HA -0.168 3.953 4.120 0.001 0.000 0.256 37 V C 1.991 178.075 176.094 -0.016 0.000 1.080 37 V CA 2.084 64.374 62.300 -0.017 0.000 1.102 37 V CB -0.475 31.369 31.823 0.036 0.000 0.705 37 V HN -0.019 nan 8.190 nan 0.000 0.475 38 D N 0.954 121.318 120.400 -0.059 0.000 2.084 38 D HA -0.136 4.505 4.640 0.001 0.000 0.196 38 D C 1.932 178.229 176.300 -0.005 0.000 0.985 38 D CA 2.081 56.058 54.000 -0.039 0.000 0.826 38 D CB -0.313 40.439 40.800 -0.080 0.000 0.978 38 D HN 0.473 nan 8.370 nan 0.000 0.456 39 I N 0.307 120.868 120.570 -0.014 0.000 2.194 39 I HA -0.323 3.847 4.170 0.001 0.000 0.246 39 I C 2.513 178.654 176.117 0.039 0.000 1.093 39 I CA 1.294 62.611 61.300 0.029 0.000 1.355 39 I CB -0.346 37.675 38.000 0.034 0.000 1.046 39 I HN 0.197 nan 8.210 nan 0.000 0.413 40 Q N 0.179 119.994 119.800 0.025 0.000 2.124 40 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 40 Q C 2.361 178.397 176.000 0.061 0.000 0.977 40 Q CA 1.599 57.423 55.803 0.036 0.000 0.850 40 Q CB -0.406 28.343 28.738 0.020 0.000 0.901 40 Q HN 0.674 nan 8.270 nan 0.000 0.429 41 G N 0.207 109.043 108.800 0.060 0.000 2.402 41 G HA2 -0.211 3.749 3.960 0.001 0.000 0.216 41 G HA3 -0.211 3.749 3.960 0.001 0.000 0.216 41 G C 1.502 176.462 174.900 0.100 0.000 1.162 41 G CA 0.826 45.971 45.100 0.075 0.000 0.777 41 G HN 0.248 nan 8.290 nan 0.000 0.539 42 S N 0.621 116.375 115.700 0.089 0.000 2.368 42 S HA -0.087 4.384 4.470 0.001 0.000 0.225 42 S C 2.405 177.092 174.600 0.145 0.000 1.030 42 S CA 1.376 59.653 58.200 0.129 0.000 0.999 42 S CB -0.259 63.004 63.200 0.104 0.000 0.844 42 S HN 0.342 nan 8.310 nan 0.000 0.459 43 M N 1.288 120.950 119.600 0.103 0.000 2.067 43 M HA -0.087 4.394 4.480 0.001 0.000 0.260 43 M C 2.662 179.013 176.300 0.085 0.000 1.069 43 M CA 1.568 56.918 55.300 0.083 0.000 1.117 43 M CB -0.744 31.892 32.600 0.062 0.000 1.334 43 M HN 0.407 nan 8.290 nan 0.000 0.407 44 A N -0.418 122.460 122.820 0.097 0.000 1.908 44 A HA -0.234 4.086 4.320 0.001 0.000 0.218 44 A C 2.036 179.689 177.584 0.115 0.000 1.181 44 A CA 1.617 53.711 52.037 0.094 0.000 0.627 44 A CB -1.171 17.894 19.000 0.107 0.000 0.818 44 A HN 0.560 nan 8.150 nan 0.000 0.445 45 Y N 0.540 120.851 120.300 0.018 0.000 2.181 45 Y HA -0.081 4.468 4.550 -0.000 0.000 0.288 45 Y C 2.699 178.604 175.900 0.009 0.000 1.146 45 Y CA 0.977 59.081 58.100 0.007 0.000 1.164 45 Y CB -0.571 37.891 38.460 0.003 0.000 0.982 45 Y HN 0.322 nan 8.280 nan 0.000 0.515 46 A N 0.278 123.133 122.820 0.058 0.000 1.908 46 A HA -0.231 4.089 4.320 0.001 0.000 0.218 46 A C 2.248 179.788 177.584 -0.073 0.000 1.181 46 A CA 2.067 54.094 52.037 -0.016 0.000 0.627 46 A CB -0.561 18.467 19.000 0.047 0.000 0.818 46 A HN 0.508 nan 8.150 nan 0.000 0.445 47 K N -0.375 120.001 120.400 -0.039 0.000 2.057 47 K HA -0.087 4.234 4.320 0.001 0.000 0.207 47 K C 2.326 178.875 176.600 -0.084 0.000 1.049 47 K CA 1.194 57.455 56.287 -0.043 0.000 0.931 47 K CB -0.358 32.135 32.500 -0.012 0.000 0.714 47 K HN 0.446 nan 8.250 nan 0.000 0.440 48 A N 1.556 124.301 122.820 -0.126 0.000 1.933 48 A HA -0.126 4.195 4.320 0.001 0.000 0.218 48 A C 2.143 179.594 177.584 -0.221 0.000 1.175 48 A CA 1.173 53.113 52.037 -0.161 0.000 0.628 48 A CB -0.613 18.279 19.000 -0.179 0.000 0.814 48 A HN 0.154 nan 8.150 nan 0.000 0.444 49 L N -0.663 120.364 121.223 -0.327 0.000 2.017 49 L HA -0.202 4.138 4.340 0.001 0.000 0.208 49 L C 2.818 179.601 176.870 -0.145 0.000 1.073 49 L CA 1.782 56.453 54.840 -0.281 0.000 0.745 49 L CB -0.517 41.360 42.059 -0.303 0.000 0.894 49 L HN 0.524 nan 8.230 nan 0.000 0.432 50 E N 1.071 121.206 120.200 -0.109 0.000 2.085 50 E HA -0.302 4.049 4.350 0.001 0.000 0.194 50 E C 2.110 178.674 176.600 -0.059 0.000 0.994 50 E CA 1.645 58.006 56.400 -0.065 0.000 0.801 50 E CB -0.012 29.660 29.700 -0.046 0.000 0.743 50 E HN 0.368 nan 8.360 nan 0.000 0.453 51 K N -0.020 120.340 120.400 -0.066 0.000 2.147 51 K HA -0.074 4.247 4.320 0.001 0.000 0.205 51 K C 1.640 178.208 176.600 -0.053 0.000 1.049 51 K CA 1.191 57.447 56.287 -0.052 0.000 0.936 51 K CB -0.153 32.317 32.500 -0.050 0.000 0.722 51 K HN 0.087 nan 8.250 nan 0.000 0.446 52 A N 0.115 122.893 122.820 -0.071 0.000 2.259 52 A HA 0.226 4.547 4.320 0.001 0.000 0.208 52 A C 1.229 178.784 177.584 -0.048 0.000 1.201 52 A CA 0.655 52.655 52.037 -0.062 0.000 0.824 52 A CB -0.481 18.471 19.000 -0.080 0.000 0.838 52 A HN 0.561 nan 8.150 nan 0.000 0.485 53 G N -0.536 108.237 108.800 -0.044 0.000 2.162 53 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 53 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 53 G C 0.753 175.633 174.900 -0.032 0.000 0.976 53 G CA 0.511 45.591 45.100 -0.033 0.000 0.655 53 G HN 0.383 nan 8.290 nan 0.000 0.533 54 I N -0.320 120.223 120.570 -0.045 0.000 2.500 54 I HA 0.253 4.424 4.170 0.001 0.000 0.252 54 I C 1.516 177.614 176.117 -0.031 0.000 1.142 54 I CA 1.075 62.351 61.300 -0.040 0.000 1.451 54 I CB -0.644 37.320 38.000 -0.059 0.000 1.093 54 I HN 0.218 nan 8.210 nan 0.000 0.430 55 L N 0.330 121.531 121.223 -0.038 0.000 2.370 55 L HA 0.338 4.679 4.340 0.001 0.000 0.266 55 L C 0.270 177.127 176.870 -0.021 0.000 1.002 55 L CA -0.584 54.240 54.840 -0.026 0.000 0.818 55 L CB 2.204 44.245 42.059 -0.030 0.000 1.325 55 L HN 0.051 nan 8.230 nan 0.000 0.418 56 T N -2.551 111.995 114.554 -0.012 0.000 2.918 56 T HA 0.278 4.629 4.350 0.001 0.000 0.283 56 T C 0.982 175.676 174.700 -0.008 0.000 1.001 56 T CA -0.840 61.254 62.100 -0.010 0.000 1.041 56 T CB 1.703 70.567 68.868 -0.006 0.000 1.028 56 T HN 0.402 nan 8.240 nan 0.000 0.511 57 K N 0.609 121.004 120.400 -0.008 0.000 2.059 57 K HA -0.145 4.175 4.320 0.001 0.000 0.212 57 K C 2.397 178.996 176.600 -0.002 0.000 1.050 57 K CA 1.999 58.282 56.287 -0.006 0.000 0.927 57 K CB -1.121 31.377 32.500 -0.005 0.000 0.714 57 K HN 0.854 nan 8.250 nan 0.000 0.447 58 T N 0.803 115.356 114.554 -0.000 0.000 2.788 58 T HA -0.125 4.225 4.350 0.001 0.000 0.268 58 T C 1.618 176.320 174.700 0.005 0.000 1.044 58 T CA 1.460 63.562 62.100 0.002 0.000 1.139 58 T CB 0.079 68.948 68.868 0.002 0.000 0.867 58 T HN 0.323 nan 8.240 nan 0.000 0.454 59 E N 0.101 120.303 120.200 0.003 0.000 2.107 59 E HA -0.049 4.302 4.350 0.001 0.000 0.191 59 E C 2.126 178.732 176.600 0.009 0.000 0.982 59 E CA 0.935 57.339 56.400 0.007 0.000 0.809 59 E CB -0.212 29.491 29.700 0.005 0.000 0.756 59 E HN 0.335 nan 8.360 nan 0.000 0.459 60 L N 1.789 123.014 121.223 0.004 0.000 2.017 60 L HA -0.195 4.145 4.340 0.001 0.000 0.208 60 L C 2.266 179.144 176.870 0.012 0.000 1.073 60 L CA 1.936 56.778 54.840 0.005 0.000 0.745 60 L CB -0.415 41.641 42.059 -0.004 0.000 0.894 60 L HN 0.077 nan 8.230 nan 0.000 0.432 61 E N -0.457 119.749 120.200 0.010 0.000 2.038 61 E HA -0.340 4.010 4.350 0.001 0.000 0.195 61 E C 2.218 178.828 176.600 0.017 0.000 1.000 61 E CA 1.628 58.035 56.400 0.012 0.000 0.803 61 E CB -0.102 29.603 29.700 0.009 0.000 0.750 61 E HN 0.377 nan 8.360 nan 0.000 0.448 62 K N 0.683 121.092 120.400 0.016 0.000 2.063 62 K HA -0.117 4.204 4.320 0.001 0.000 0.208 62 K C 2.008 178.624 176.600 0.026 0.000 1.048 62 K CA 1.492 57.790 56.287 0.019 0.000 0.928 62 K CB -0.305 32.205 32.500 0.016 0.000 0.713 62 K HN 0.231 nan 8.250 nan 0.000 0.442 63 I N 0.257 120.845 120.570 0.030 0.000 2.163 63 I HA -0.281 3.890 4.170 0.001 0.000 0.240 63 I C 2.084 178.229 176.117 0.045 0.000 1.081 63 I CA 1.101 62.426 61.300 0.041 0.000 1.353 63 I CB -0.270 37.757 38.000 0.045 0.000 1.054 63 I HN 0.130 nan 8.210 nan 0.000 0.407 64 L N 0.027 121.273 121.223 0.039 0.000 2.043 64 L HA -0.251 4.090 4.340 0.001 0.000 0.212 64 L C 2.701 179.596 176.870 0.042 0.000 1.075 64 L CA 1.355 56.220 54.840 0.041 0.000 0.752 64 L CB -0.677 41.400 42.059 0.032 0.000 0.891 64 L HN 0.232 nan 8.230 nan 0.000 0.432 65 S N 0.048 115.769 115.700 0.035 0.000 2.356 65 S HA -0.136 4.335 4.470 0.001 0.000 0.223 65 S C 2.050 176.675 174.600 0.042 0.000 1.032 65 S CA 1.254 59.475 58.200 0.034 0.000 1.005 65 S CB -0.672 62.543 63.200 0.026 0.000 0.867 65 S HN 0.619 nan 8.310 nan 0.000 0.449 66 G N 1.731 110.558 108.800 0.045 0.000 2.446 66 G HA2 -0.166 3.795 3.960 0.001 0.000 0.217 66 G HA3 -0.166 3.795 3.960 0.001 0.000 0.217 66 G C 1.359 176.303 174.900 0.074 0.000 1.168 66 G CA 0.717 45.849 45.100 0.053 0.000 0.771 66 G HN 0.425 nan 8.290 nan 0.000 0.551 67 L N 0.120 121.389 121.223 0.077 0.000 2.042 67 L HA -0.099 4.242 4.340 0.001 0.000 0.210 67 L C 2.943 179.871 176.870 0.096 0.000 1.076 67 L CA 1.455 56.350 54.840 0.093 0.000 0.749 67 L CB -0.412 41.697 42.059 0.082 0.000 0.893 67 L HN 0.312 nan 8.230 nan 0.000 0.432 68 E N -0.394 119.851 120.200 0.075 0.000 2.110 68 E HA -0.232 4.119 4.350 0.001 0.000 0.193 68 E C 2.144 178.793 176.600 0.081 0.000 0.988 68 E CA 0.739 57.182 56.400 0.071 0.000 0.804 68 E CB -0.024 29.707 29.700 0.052 0.000 0.745 68 E HN 0.205 nan 8.360 nan 0.000 0.458 69 K N 1.105 121.550 120.400 0.075 0.000 2.097 69 K HA -0.096 4.224 4.320 0.001 0.000 0.205 69 K C 1.955 178.615 176.600 0.100 0.000 1.050 69 K CA 0.842 57.171 56.287 0.069 0.000 0.938 69 K CB -0.132 32.396 32.500 0.048 0.000 0.718 69 K HN 0.174 nan 8.250 nan 0.000 0.442 70 I N 0.604 121.260 120.570 0.143 0.000 2.252 70 I HA -0.247 3.924 4.170 0.001 0.000 0.245 70 I C 2.168 178.464 176.117 0.298 0.000 1.102 70 I CA 0.800 62.237 61.300 0.228 0.000 1.385 70 I CB -0.214 37.956 38.000 0.283 0.000 1.064 70 I HN 0.018 nan 8.210 nan 0.000 0.414 71 S N 0.340 116.188 115.700 0.247 0.000 2.353 71 S HA -0.279 4.192 4.470 0.001 0.000 0.222 71 S C 1.947 176.678 174.600 0.219 0.000 1.035 71 S CA 1.710 60.058 58.200 0.246 0.000 1.025 71 S CB -0.422 62.862 63.200 0.139 0.000 0.902 71 S HN 0.493 nan 8.310 nan 0.000 0.440 72 E N 1.201 121.487 120.200 0.143 0.000 2.086 72 E HA -0.275 4.075 4.350 0.001 0.000 0.200 72 E C 1.892 178.554 176.600 0.104 0.000 1.012 72 E CA 1.562 58.024 56.400 0.103 0.000 0.812 72 E CB -0.167 29.574 29.700 0.068 0.000 0.743 72 E HN 0.614 nan 8.360 nan 0.000 0.453 73 E N -0.624 119.632 120.200 0.094 0.000 2.110 73 E HA -0.195 4.156 4.350 0.001 0.000 0.193 73 E C 1.837 178.464 176.600 0.046 0.000 0.988 73 E CA 1.290 57.710 56.400 0.034 0.000 0.804 73 E CB -0.234 29.458 29.700 -0.013 0.000 0.745 73 E HN 0.479 nan 8.360 nan 0.000 0.458 74 W N 1.002 122.374 121.300 0.121 0.000 2.381 74 W HA -0.125 4.536 4.660 0.002 0.000 0.301 74 W C 2.779 179.320 176.519 0.036 0.000 1.205 74 W CA 0.968 58.344 57.345 0.053 0.000 1.285 74 W CB -0.171 29.263 29.460 -0.043 0.000 1.133 74 W HN -0.051 nan 8.180 nan 0.000 0.521 75 S N 0.203 116.063 115.700 0.268 0.000 2.370 75 S HA -0.171 4.299 4.470 0.001 0.000 0.226 75 S C 1.635 176.304 174.600 0.115 0.000 1.033 75 S CA 1.232 59.526 58.200 0.158 0.000 1.011 75 S CB -0.355 62.914 63.200 0.116 0.000 0.852 75 S HN 0.110 nan 8.310 nan 0.000 0.457 76 K N 0.631 121.089 120.400 0.096 0.000 2.486 76 K HA 0.138 4.459 4.320 0.001 0.000 0.194 76 K C 1.296 177.931 176.600 0.059 0.000 1.033 76 K CA 0.626 56.950 56.287 0.061 0.000 1.004 76 K CB -0.635 31.888 32.500 0.039 0.000 0.798 76 K HN 0.496 nan 8.250 nan 0.000 0.495 77 G N 1.596 110.449 108.800 0.088 0.000 2.221 77 G HA2 -0.256 3.705 3.960 0.001 0.000 0.265 77 G HA3 -0.256 3.705 3.960 0.001 0.000 0.265 77 G C 0.579 175.496 174.900 0.028 0.000 1.041 77 G CA 0.542 45.692 45.100 0.083 0.000 0.807 77 G HN 0.272 nan 8.290 nan 0.000 0.502 78 V N -3.304 116.606 119.914 -0.008 0.000 3.528 78 V HA 0.648 4.769 4.120 0.001 0.000 0.294 78 V C 0.969 176.981 176.094 -0.137 0.000 1.404 78 V CA -0.210 62.055 62.300 -0.058 0.000 1.065 78 V CB -0.379 31.412 31.823 -0.053 0.000 0.904 78 V HN 0.602 nan 8.190 nan 0.000 0.435 79 F N 3.238 122.959 119.950 -0.383 0.000 2.529 79 F HA 0.520 5.048 4.527 0.002 0.000 0.365 79 F C 0.275 175.804 175.800 -0.450 0.000 1.102 79 F CA -0.382 57.253 58.000 -0.608 0.000 1.271 79 F CB 1.328 39.477 39.000 -1.419 0.000 1.120 79 F HN 0.113 nan 8.300 nan 0.000 0.579 80 V N 5.580 125.000 119.914 -0.822 0.000 2.370 80 V HA 0.549 4.669 4.120 0.001 0.000 0.283 80 V C -0.716 175.166 176.094 -0.354 0.000 1.023 80 V CA -0.873 61.170 62.300 -0.429 0.000 0.857 80 V CB 0.811 32.426 31.823 -0.346 0.000 0.985 80 V HN 0.558 nan 8.190 nan 0.000 0.443 81 V N 6.736 126.673 119.914 0.038 0.000 2.348 81 V HA 0.332 4.452 4.120 0.001 0.000 0.270 81 V C 0.686 176.816 176.094 0.061 0.000 1.037 81 V CA -0.552 61.861 62.300 0.190 0.000 0.872 81 V CB 0.833 32.811 31.823 0.258 0.000 1.002 81 V HN 1.134 nan 8.190 nan 0.000 0.464 82 K N 4.070 124.491 120.400 0.034 0.000 2.168 82 K HA 0.290 4.610 4.320 0.001 0.000 0.258 82 K C 0.758 177.375 176.600 0.028 0.000 1.010 82 K CA -0.369 55.922 56.287 0.007 0.000 0.929 82 K CB 0.996 33.489 32.500 -0.011 0.000 0.998 82 K HN 0.487 nan 8.250 nan 0.000 0.479 83 Q N 0.400 120.210 119.800 0.015 0.000 2.234 83 Q HA -0.107 4.234 4.340 0.001 0.000 0.206 83 Q C 0.977 176.989 176.000 0.021 0.000 0.980 83 Q CA 1.625 57.439 55.803 0.019 0.000 0.869 83 Q CB -0.030 28.715 28.738 0.011 0.000 0.912 83 Q HN 0.696 nan 8.270 nan 0.000 0.436 84 S N 0.805 116.517 115.700 0.019 0.000 2.631 84 S HA 0.027 4.497 4.470 0.001 0.000 0.217 84 S C -0.265 174.351 174.600 0.026 0.000 0.958 84 S CA -0.009 58.202 58.200 0.018 0.000 0.920 84 S CB 0.167 63.374 63.200 0.011 0.000 0.776 84 S HN 0.209 nan 8.310 nan 0.000 0.517 85 D N 2.152 122.577 120.400 0.042 0.000 2.374 85 D HA 0.156 4.796 4.640 0.001 0.000 0.240 85 D C 0.953 177.274 176.300 0.034 0.000 1.229 85 D CA 0.011 54.045 54.000 0.057 0.000 0.895 85 D CB 1.117 41.981 40.800 0.108 0.000 1.046 85 D HN 0.163 nan 8.370 nan 0.000 0.498 86 E N 2.083 122.294 120.200 0.018 0.000 2.077 86 E HA -0.141 4.209 4.350 0.001 0.000 0.193 86 E C -0.164 176.425 176.600 -0.020 0.000 0.989 86 E CA 1.282 57.684 56.400 0.002 0.000 0.800 86 E CB 0.356 30.058 29.700 0.002 0.000 0.746 86 E HN 0.698 nan 8.360 nan 0.000 0.452 87 D N -3.272 117.118 120.400 -0.017 0.000 2.692 87 D HA 0.090 4.731 4.640 0.001 0.000 0.303 87 D C 0.481 176.764 176.300 -0.028 0.000 1.278 87 D CA -0.650 53.320 54.000 -0.051 0.000 0.852 87 D CB -0.079 40.687 40.800 -0.057 0.000 1.375 87 D HN -0.079 nan 8.370 nan 0.000 0.453 88 I N 0.602 121.130 120.570 -0.070 0.000 2.208 88 I HA -0.207 3.964 4.170 0.001 0.000 0.245 88 I C 1.324 177.417 176.117 -0.040 0.000 1.097 88 I CA 1.630 62.882 61.300 -0.081 0.000 1.363 88 I CB -0.656 37.229 38.000 -0.190 0.000 1.051 88 I HN 0.404 nan 8.210 nan 0.000 0.413 89 N N -0.249 118.429 118.700 -0.037 0.000 2.104 89 N HA -0.164 4.577 4.740 0.001 0.000 0.190 89 N C 1.792 177.304 175.510 0.002 0.000 1.024 89 N CA 2.082 55.123 53.050 -0.015 0.000 0.853 89 N CB -0.674 37.805 38.487 -0.014 0.000 1.008 89 N HN 0.415 nan 8.380 nan 0.000 0.424 90 T N 1.464 116.019 114.554 0.002 0.000 2.737 90 T HA -0.019 4.331 4.350 0.001 0.000 0.265 90 T C 2.110 176.854 174.700 0.074 0.000 1.038 90 T CA 1.263 63.371 62.100 0.013 0.000 1.144 90 T CB -0.336 68.536 68.868 0.007 0.000 0.866 90 T HN 0.334 nan 8.240 nan 0.000 0.434 91 A N 2.721 125.614 122.820 0.122 0.000 1.873 91 A HA -0.230 4.090 4.320 0.001 0.000 0.218 91 A C 2.226 180.016 177.584 0.343 0.000 1.193 91 A CA 1.931 54.126 52.037 0.263 0.000 0.629 91 A CB -0.811 18.370 19.000 0.301 0.000 0.826 91 A HN 0.413 nan 8.150 nan 0.000 0.447 92 N N -0.157 118.687 118.700 0.240 0.000 2.223 92 N HA -0.116 4.624 4.740 0.001 0.000 0.185 92 N C 1.655 177.274 175.510 0.181 0.000 1.016 92 N CA 1.428 54.630 53.050 0.254 0.000 0.863 92 N CB -0.425 38.163 38.487 0.168 0.000 0.983 92 N HN 0.684 nan 8.380 nan 0.000 0.429 93 E N 0.642 120.907 120.200 0.109 0.000 2.051 93 E HA -0.160 4.190 4.350 0.001 0.000 0.192 93 E C 2.057 178.697 176.600 0.065 0.000 0.991 93 E CA 0.631 57.068 56.400 0.060 0.000 0.799 93 E CB -0.042 29.652 29.700 -0.011 0.000 0.748 93 E HN 0.301 nan 8.360 nan 0.000 0.449 94 R N 1.115 121.659 120.500 0.074 0.000 2.083 94 R HA -0.204 4.136 4.340 0.001 0.000 0.237 94 R C 2.367 178.701 176.300 0.056 0.000 1.137 94 R CA 1.679 57.811 56.100 0.055 0.000 0.951 94 R CB -0.102 30.232 30.300 0.057 0.000 0.851 94 R HN -0.091 nan 8.270 nan 0.000 0.434 95 R N 0.740 121.306 120.500 0.110 0.000 2.096 95 R HA -0.112 4.229 4.340 0.001 0.000 0.235 95 R C 2.149 178.490 176.300 0.069 0.000 1.127 95 R CA 1.301 57.447 56.100 0.076 0.000 0.968 95 R CB -0.813 29.610 30.300 0.206 0.000 0.861 95 R HN 0.353 nan 8.270 nan 0.000 0.440 96 L N 0.416 121.695 121.223 0.094 0.000 2.093 96 L HA -0.043 4.298 4.340 0.001 0.000 0.208 96 L C 1.988 178.885 176.870 0.045 0.000 1.085 96 L CA 1.859 56.743 54.840 0.074 0.000 0.755 96 L CB -0.518 41.591 42.059 0.084 0.000 0.904 96 L HN 0.087 nan 8.230 nan 0.000 0.435 97 K N 0.115 120.537 120.400 0.037 0.000 2.057 97 K HA -0.157 4.164 4.320 0.001 0.000 0.207 97 K C 1.929 178.533 176.600 0.008 0.000 1.049 97 K CA 1.778 58.077 56.287 0.021 0.000 0.931 97 K CB -0.165 32.344 32.500 0.015 0.000 0.714 97 K HN 0.485 nan 8.250 nan 0.000 0.440 98 E N -0.158 120.042 120.200 -0.000 0.000 2.204 98 E HA -0.118 4.232 4.350 0.001 0.000 0.194 98 E C 1.838 178.427 176.600 -0.017 0.000 0.989 98 E CA 0.858 57.246 56.400 -0.019 0.000 0.824 98 E CB 0.025 29.697 29.700 -0.045 0.000 0.756 98 E HN 0.280 nan 8.360 nan 0.000 0.477 99 L N 0.305 121.526 121.223 -0.003 0.000 2.116 99 L HA 0.030 4.371 4.340 0.001 0.000 0.200 99 L C 2.507 179.381 176.870 0.007 0.000 1.084 99 L CA 0.755 55.595 54.840 0.001 0.000 0.766 99 L CB -0.226 41.842 42.059 0.015 0.000 0.930 99 L HN 0.165 nan 8.230 nan 0.000 0.453 100 I N -2.739 117.841 120.570 0.016 0.000 3.860 100 I HA 0.417 4.587 4.170 0.001 0.000 0.319 100 I C 0.982 177.108 176.117 0.014 0.000 1.279 100 I CA 0.312 61.622 61.300 0.017 0.000 1.220 100 I CB -0.111 37.904 38.000 0.024 0.000 1.027 100 I HN 0.285 nan 8.210 nan 0.000 0.428 101 G N 2.076 110.883 108.800 0.013 0.000 2.632 101 G HA2 -0.323 3.637 3.960 0.001 0.000 0.224 101 G HA3 -0.323 3.637 3.960 0.001 0.000 0.224 101 G C 0.013 174.923 174.900 0.015 0.000 1.341 101 G CA 0.369 45.475 45.100 0.010 0.000 0.880 101 G HN 0.344 nan 8.290 nan 0.000 0.566 102 D N -0.017 120.390 120.400 0.013 0.000 2.220 102 D HA -0.176 4.465 4.640 0.001 0.000 0.198 102 D C 2.494 178.807 176.300 0.022 0.000 1.001 102 D CA 2.104 56.114 54.000 0.016 0.000 0.875 102 D CB -0.221 40.587 40.800 0.012 0.000 0.921 102 D HN 0.776 nan 8.370 nan 0.000 0.454 103 I N -2.615 117.968 120.570 0.022 0.000 2.567 103 I HA -0.120 4.051 4.170 0.001 0.000 0.257 103 I C 2.098 178.236 176.117 0.036 0.000 1.184 103 I CA 1.050 62.365 61.300 0.026 0.000 1.451 103 I CB -0.317 37.696 38.000 0.022 0.000 1.089 103 I HN -0.108 nan 8.210 nan 0.000 0.441 104 A N 2.100 124.943 122.820 0.038 0.000 1.978 104 A HA -0.063 4.257 4.320 0.001 0.000 0.220 104 A C 2.396 180.017 177.584 0.060 0.000 1.170 104 A CA 1.669 53.736 52.037 0.050 0.000 0.636 104 A CB -1.615 17.412 19.000 0.045 0.000 0.810 104 A HN 0.562 nan 8.150 nan 0.000 0.448 105 G N -0.387 108.442 108.800 0.049 0.000 2.498 105 G HA2 -0.197 3.763 3.960 0.001 0.000 0.219 105 G HA3 -0.197 3.763 3.960 0.001 0.000 0.219 105 G C 1.502 176.450 174.900 0.081 0.000 1.119 105 G CA 0.968 46.101 45.100 0.056 0.000 0.766 105 G HN 0.637 nan 8.290 nan 0.000 0.552 106 K N -0.308 120.136 120.400 0.073 0.000 2.366 106 K HA 0.252 4.573 4.320 0.001 0.000 0.198 106 K C 2.158 178.824 176.600 0.110 0.000 1.044 106 K CA -0.123 56.209 56.287 0.075 0.000 0.973 106 K CB -0.078 32.449 32.500 0.045 0.000 0.767 106 K HN 0.254 nan 8.250 nan 0.000 0.475 107 L N 0.700 122.006 121.223 0.138 0.000 2.083 107 L HA -0.185 4.156 4.340 0.001 0.000 0.209 107 L C 2.062 179.118 176.870 0.309 0.000 1.083 107 L CA 1.402 56.363 54.840 0.202 0.000 0.752 107 L CB -0.206 41.964 42.059 0.185 0.000 0.899 107 L HN 0.409 nan 8.230 nan 0.000 0.433 108 H N -0.486 118.661 119.070 0.127 0.000 2.547 108 H HA 0.036 4.593 4.556 0.001 0.000 0.274 108 H C -0.080 175.319 175.328 0.117 0.000 1.024 108 H CA -0.147 55.958 56.048 0.095 0.000 1.155 108 H CB 0.074 29.856 29.762 0.034 0.000 1.344 108 H HN 0.172 nan 8.280 nan 0.000 0.598 109 T N 0.042 114.703 114.554 0.177 0.000 2.761 109 T HA 0.143 4.494 4.350 0.001 0.000 0.287 109 T C 1.170 175.942 174.700 0.120 0.000 0.931 109 T CA 0.777 62.944 62.100 0.110 0.000 1.164 109 T CB 0.406 69.320 68.868 0.077 0.000 0.876 109 T HN 0.639 nan 8.240 nan 0.000 0.534 110 G N 3.363 112.186 108.800 0.038 0.000 2.179 110 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 110 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 110 G C 0.225 175.091 174.900 -0.057 0.000 0.977 110 G CA 0.206 45.324 45.100 0.031 0.000 0.641 110 G HN 0.762 nan 8.290 nan 0.000 0.533 111 R N 0.230 120.571 120.500 -0.265 0.000 2.540 111 R HA 0.677 5.017 4.340 0.001 0.000 0.287 111 R C -0.293 175.627 176.300 -0.634 0.000 0.980 111 R CA 0.218 55.973 56.100 -0.575 0.000 0.966 111 R CB 1.316 31.076 30.300 -0.901 0.000 1.106 111 R HN 0.225 nan 8.270 nan 0.000 0.480 112 S N 0.982 116.437 115.700 -0.409 0.000 2.568 112 S HA 0.346 4.817 4.470 0.001 0.000 0.293 112 S C 0.669 175.178 174.600 -0.152 0.000 1.089 112 S CA -0.830 57.231 58.200 -0.231 0.000 0.945 112 S CB 1.553 64.647 63.200 -0.177 0.000 1.077 112 S HN 0.677 nan 8.310 nan 0.000 0.485 113 R N 2.111 122.574 120.500 -0.061 0.000 2.152 113 R HA -0.038 4.303 4.340 0.001 0.000 0.232 113 R C 1.226 177.438 176.300 -0.146 0.000 1.117 113 R CA 1.159 57.224 56.100 -0.059 0.000 0.981 113 R CB -1.048 29.220 30.300 -0.053 0.000 0.870 113 R HN 0.609 nan 8.270 nan 0.000 0.451 114 N N 1.405 119.952 118.700 -0.256 0.000 2.104 114 N HA -0.166 4.575 4.740 0.001 0.000 0.190 114 N C 1.182 176.608 175.510 -0.140 0.000 1.024 114 N CA 1.810 54.672 53.050 -0.315 0.000 0.853 114 N CB -0.361 37.891 38.487 -0.392 0.000 1.008 114 N HN 0.419 nan 8.380 nan 0.000 0.424 115 D N -0.353 119.964 120.400 -0.138 0.000 2.354 115 D HA -0.030 4.610 4.640 0.001 0.000 0.209 115 D C 1.435 177.668 176.300 -0.111 0.000 1.015 115 D CA 0.382 54.314 54.000 -0.114 0.000 0.867 115 D CB -0.294 40.427 40.800 -0.132 0.000 0.933 115 D HN 0.272 nan 8.370 nan 0.000 0.520 116 Q N 0.469 120.204 119.800 -0.108 0.000 2.033 116 Q HA -0.033 4.307 4.340 0.001 0.000 0.196 116 Q C 2.402 178.386 176.000 -0.027 0.000 0.970 116 Q CA 0.946 56.701 55.803 -0.080 0.000 0.828 116 Q CB 0.175 28.878 28.738 -0.057 0.000 0.895 116 Q HN 0.124 nan 8.270 nan 0.000 0.440 117 V N 1.145 121.055 119.914 -0.007 0.000 2.252 117 V HA -0.280 3.840 4.120 0.001 0.000 0.249 117 V C 2.471 178.609 176.094 0.073 0.000 1.056 117 V CA 2.099 64.422 62.300 0.039 0.000 1.022 117 V CB -0.969 30.892 31.823 0.064 0.000 0.641 117 V HN 0.379 nan 8.190 nan 0.000 0.445 118 V N -2.241 117.717 119.914 0.073 0.000 2.490 118 V HA -0.214 3.907 4.120 0.001 0.000 0.250 118 V C 2.202 178.296 176.094 0.001 0.000 1.061 118 V CA 2.426 64.783 62.300 0.096 0.000 1.064 118 V CB -1.605 30.268 31.823 0.084 0.000 0.670 118 V HN 0.549 nan 8.190 nan 0.000 0.461 119 T N 0.419 114.959 114.554 -0.023 0.000 2.777 119 T HA -0.133 4.218 4.350 0.001 0.000 0.266 119 T C 1.625 176.379 174.700 0.090 0.000 1.040 119 T CA 1.800 63.897 62.100 -0.005 0.000 1.141 119 T CB -0.458 68.392 68.868 -0.030 0.000 0.868 119 T HN 0.558 nan 8.240 nan 0.000 0.444 120 D N 1.213 121.655 120.400 0.071 0.000 2.084 120 D HA -0.024 4.616 4.640 0.001 0.000 0.194 120 D C 2.176 178.568 176.300 0.153 0.000 0.990 120 D CA 0.700 54.754 54.000 0.090 0.000 0.826 120 D CB -0.560 40.270 40.800 0.050 0.000 0.971 120 D HN 0.229 nan 8.370 nan 0.000 0.453 121 L N 0.664 121.986 121.223 0.164 0.000 1.989 121 L HA -0.213 4.128 4.340 0.001 0.000 0.211 121 L C 2.388 179.409 176.870 0.253 0.000 1.071 121 L CA 1.449 56.441 54.840 0.253 0.000 0.749 121 L CB -0.210 42.032 42.059 0.306 0.000 0.890 121 L HN 0.060 nan 8.230 nan 0.000 0.431 122 K N -0.613 119.840 120.400 0.089 0.000 2.063 122 K HA -0.238 4.082 4.320 0.001 0.000 0.208 122 K C 1.976 178.633 176.600 0.095 0.000 1.048 122 K CA 1.143 57.420 56.287 -0.017 0.000 0.928 122 K CB -0.270 32.146 32.500 -0.139 0.000 0.713 122 K HN 0.105 nan 8.250 nan 0.000 0.442 123 L N 0.645 121.962 121.223 0.156 0.000 1.989 123 L HA -0.172 4.169 4.340 0.001 0.000 0.211 123 L C 2.165 179.065 176.870 0.050 0.000 1.071 123 L CA 1.533 56.404 54.840 0.052 0.000 0.749 123 L CB -0.721 41.395 42.059 0.095 0.000 0.890 123 L HN 0.093 nan 8.230 nan 0.000 0.431 124 F N -0.503 119.446 119.950 -0.003 0.000 2.095 124 F HA -0.278 4.250 4.527 0.001 0.000 0.298 124 F C 2.384 178.170 175.800 -0.023 0.000 1.104 124 F CA 1.820 59.820 58.000 -0.000 0.000 1.232 124 F CB -0.236 38.813 39.000 0.082 0.000 0.987 124 F HN 0.055 nan 8.300 nan 0.000 0.475 125 M N 0.088 119.713 119.600 0.042 0.000 2.159 125 M HA -0.224 4.256 4.480 0.001 0.000 0.263 125 M C 2.187 178.348 176.300 -0.232 0.000 1.063 125 M CA 1.680 56.883 55.300 -0.161 0.000 1.110 125 M CB -0.462 32.113 32.600 -0.042 0.000 1.374 125 M HN 0.077 nan 8.290 nan 0.000 0.411 126 K N 0.441 120.743 120.400 -0.164 0.000 2.009 126 K HA -0.181 4.139 4.320 0.001 0.000 0.210 126 K C 1.635 178.108 176.600 -0.212 0.000 1.049 126 K CA 1.975 58.153 56.287 -0.183 0.000 0.929 126 K CB -0.295 32.077 32.500 -0.212 0.000 0.714 126 K HN 0.298 nan 8.250 nan 0.000 0.440 127 N N 0.150 118.707 118.700 -0.238 0.000 2.104 127 N HA -0.118 4.623 4.740 0.001 0.000 0.190 127 N C 1.752 177.093 175.510 -0.281 0.000 1.024 127 N CA 1.422 54.326 53.050 -0.242 0.000 0.853 127 N CB -0.194 38.152 38.487 -0.236 0.000 1.008 127 N HN 0.024 nan 8.380 nan 0.000 0.424 128 S N 0.276 115.728 115.700 -0.412 0.000 2.355 128 S HA 0.028 4.498 4.470 0.001 0.000 0.222 128 S C 1.710 176.195 174.600 -0.192 0.000 1.031 128 S CA 0.534 58.517 58.200 -0.362 0.000 0.993 128 S CB -0.199 62.687 63.200 -0.524 0.000 0.859 128 S HN 0.206 nan 8.310 nan 0.000 0.453 129 L N 2.200 123.304 121.223 -0.200 0.000 2.191 129 L HA -0.085 4.256 4.340 0.001 0.000 0.212 129 L C 2.649 179.462 176.870 -0.095 0.000 1.103 129 L CA 1.730 56.501 54.840 -0.116 0.000 0.769 129 L CB -1.749 40.221 42.059 -0.148 0.000 0.908 129 L HN 0.484 nan 8.230 nan 0.000 0.438 130 S N -0.527 115.098 115.700 -0.124 0.000 2.357 130 S HA -0.114 4.356 4.470 0.001 0.000 0.221 130 S C 2.022 176.549 174.600 -0.122 0.000 1.031 130 S CA 0.655 58.787 58.200 -0.115 0.000 0.982 130 S CB -0.530 62.597 63.200 -0.122 0.000 0.853 130 S HN 0.347 nan 8.310 nan 0.000 0.458 131 I N 1.659 122.151 120.570 -0.131 0.000 2.179 131 I HA -0.143 4.027 4.170 0.001 0.000 0.242 131 I C 2.456 178.460 176.117 -0.188 0.000 1.088 131 I CA 1.403 62.598 61.300 -0.174 0.000 1.357 131 I CB -0.436 37.501 38.000 -0.104 0.000 1.051 131 I HN 0.278 nan 8.210 nan 0.000 0.409 132 I N 0.612 121.176 120.570 -0.010 0.000 2.208 132 I HA -0.319 3.852 4.170 0.001 0.000 0.245 132 I C 2.740 178.909 176.117 0.086 0.000 1.097 132 I CA 1.851 63.228 61.300 0.129 0.000 1.363 132 I CB -0.446 37.690 38.000 0.225 0.000 1.051 132 I HN 0.333 nan 8.210 nan 0.000 0.413 133 S N -0.345 115.366 115.700 0.019 0.000 2.399 133 S HA -0.165 4.305 4.470 0.001 0.000 0.231 133 S C 1.961 176.546 174.600 -0.026 0.000 1.022 133 S CA 1.640 59.847 58.200 0.012 0.000 0.983 133 S CB -0.958 62.225 63.200 -0.028 0.000 0.803 133 S HN 0.372 nan 8.310 nan 0.000 0.480 134 T N 1.928 116.411 114.554 -0.119 0.000 2.684 134 T HA -0.133 4.217 4.350 0.001 0.000 0.267 134 T C 1.684 176.318 174.700 -0.111 0.000 1.036 134 T CA 1.798 63.799 62.100 -0.165 0.000 1.148 134 T CB -0.589 68.100 68.868 -0.300 0.000 0.863 134 T HN 0.557 nan 8.240 nan 0.000 0.436 135 H N 0.542 119.630 119.070 0.029 0.000 2.389 135 H HA 0.124 4.681 4.556 0.001 0.000 0.299 135 H C 2.375 177.724 175.328 0.035 0.000 1.081 135 H CA 0.649 56.716 56.048 0.031 0.000 1.345 135 H CB -0.720 29.064 29.762 0.038 0.000 1.393 135 H HN 0.241 nan 8.280 nan 0.000 0.520 136 L N 0.372 121.690 121.223 0.159 0.000 2.046 136 L HA -0.163 4.178 4.340 0.001 0.000 0.208 136 L C 2.246 179.163 176.870 0.079 0.000 1.077 136 L CA 0.979 55.893 54.840 0.123 0.000 0.747 136 L CB -0.239 41.906 42.059 0.143 0.000 0.896 136 L HN 0.190 nan 8.230 nan 0.000 0.432 137 L N -0.823 120.432 121.223 0.055 0.000 2.141 137 L HA -0.218 4.123 4.340 0.001 0.000 0.209 137 L C 2.520 179.410 176.870 0.033 0.000 1.094 137 L CA 0.745 55.605 54.840 0.033 0.000 0.763 137 L CB -0.370 41.697 42.059 0.013 0.000 0.908 137 L HN 0.322 nan 8.230 nan 0.000 0.437 138 Q N 0.462 120.290 119.800 0.048 0.000 2.119 138 Q HA -0.184 4.156 4.340 0.001 0.000 0.201 138 Q C 2.125 178.148 176.000 0.039 0.000 0.972 138 Q CA 1.556 57.389 55.803 0.049 0.000 0.847 138 Q CB -0.223 28.565 28.738 0.083 0.000 0.903 138 Q HN 0.468 nan 8.270 nan 0.000 0.433 139 L N -0.475 120.773 121.223 0.042 0.000 2.027 139 L HA -0.121 4.219 4.340 0.001 0.000 0.206 139 L C 2.074 178.948 176.870 0.006 0.000 1.074 139 L CA 1.249 56.100 54.840 0.017 0.000 0.745 139 L CB -0.224 41.847 42.059 0.021 0.000 0.898 139 L HN 0.342 nan 8.230 nan 0.000 0.433 140 I N -0.203 120.376 120.570 0.015 0.000 2.226 140 I HA -0.344 3.826 4.170 0.001 0.000 0.245 140 I C 2.607 178.723 176.117 -0.002 0.000 1.100 140 I CA 1.221 62.523 61.300 0.004 0.000 1.374 140 I CB -0.381 37.626 38.000 0.011 0.000 1.057 140 I HN 0.292 nan 8.210 nan 0.000 0.413 141 K N 0.855 121.258 120.400 0.006 0.000 2.009 141 K HA -0.192 4.128 4.320 0.001 0.000 0.210 141 K C 2.124 178.726 176.600 0.004 0.000 1.049 141 K CA 2.205 58.495 56.287 0.005 0.000 0.929 141 K CB -0.165 32.342 32.500 0.012 0.000 0.714 141 K HN 0.206 nan 8.250 nan 0.000 0.440 142 T N 2.020 116.578 114.554 0.006 0.000 2.653 142 T HA -0.188 4.163 4.350 0.001 0.000 0.268 142 T C 1.749 176.447 174.700 -0.004 0.000 1.035 142 T CA 1.557 63.661 62.100 0.006 0.000 1.154 142 T CB -0.208 68.662 68.868 0.002 0.000 0.862 142 T HN 0.066 nan 8.240 nan 0.000 0.441 143 L N 0.599 121.810 121.223 -0.020 0.000 2.017 143 L HA -0.038 4.302 4.340 0.001 0.000 0.208 143 L C 2.681 179.524 176.870 -0.044 0.000 1.073 143 L CA 1.218 56.032 54.840 -0.043 0.000 0.745 143 L CB -1.192 40.832 42.059 -0.058 0.000 0.894 143 L HN 0.145 nan 8.230 nan 0.000 0.432 144 V N -0.765 119.131 119.914 -0.031 0.000 2.343 144 V HA -0.220 3.901 4.120 0.001 0.000 0.247 144 V C 2.582 178.669 176.094 -0.011 0.000 1.051 144 V CA 1.339 63.623 62.300 -0.026 0.000 1.036 144 V CB -0.459 31.354 31.823 -0.018 0.000 0.654 144 V HN 0.400 nan 8.190 nan 0.000 0.451 145 E N 0.137 120.337 120.200 0.000 0.000 2.047 145 E HA -0.202 4.149 4.350 0.001 0.000 0.191 145 E C 2.316 178.931 176.600 0.025 0.000 0.987 145 E CA 1.268 57.676 56.400 0.014 0.000 0.799 145 E CB -0.392 29.319 29.700 0.019 0.000 0.752 145 E HN 0.514 nan 8.360 nan 0.000 0.449 146 R N 0.550 121.066 120.500 0.027 0.000 2.081 146 R HA -0.099 4.242 4.340 0.001 0.000 0.235 146 R C 2.202 178.530 176.300 0.048 0.000 1.131 146 R CA 1.390 57.523 56.100 0.055 0.000 0.960 146 R CB -0.216 30.127 30.300 0.070 0.000 0.856 146 R HN 0.136 nan 8.270 nan 0.000 0.436 147 A N 0.728 123.543 122.820 -0.008 0.000 1.948 147 A HA -0.189 4.132 4.320 0.001 0.000 0.220 147 A C 2.329 179.926 177.584 0.022 0.000 1.177 147 A CA 1.896 53.917 52.037 -0.027 0.000 0.636 147 A CB -0.755 18.208 19.000 -0.062 0.000 0.815 147 A HN 0.573 nan 8.150 nan 0.000 0.449 148 A N -0.083 122.751 122.820 0.024 0.000 1.873 148 A HA -0.043 4.277 4.320 0.001 0.000 0.215 148 A C 2.130 179.744 177.584 0.049 0.000 1.186 148 A CA 1.468 53.524 52.037 0.032 0.000 0.616 148 A CB -0.573 18.441 19.000 0.024 0.000 0.823 148 A HN 0.499 nan 8.150 nan 0.000 0.442 149 I N -0.318 120.288 120.570 0.059 0.000 2.226 149 I HA -0.206 3.965 4.170 0.001 0.000 0.245 149 I C 1.292 177.464 176.117 0.092 0.000 1.100 149 I CA 1.345 62.687 61.300 0.070 0.000 1.374 149 I CB -0.373 37.670 38.000 0.073 0.000 1.057 149 I HN 0.378 nan 8.210 nan 0.000 0.413 150 E N 0.765 121.044 120.200 0.132 0.000 2.349 150 E HA 0.105 4.456 4.350 0.001 0.000 0.201 150 E C 1.535 178.244 176.600 0.181 0.000 1.087 150 E CA -0.153 56.359 56.400 0.187 0.000 1.128 150 E CB 0.217 30.123 29.700 0.345 0.000 1.188 150 E HN 0.487 nan 8.360 nan 0.000 0.445 151 I N 0.788 121.427 120.570 0.114 0.000 2.614 151 I HA -0.205 3.965 4.170 0.001 0.000 0.258 151 I C 1.006 177.180 176.117 0.094 0.000 1.189 151 I CA 1.191 62.548 61.300 0.095 0.000 1.462 151 I CB 0.324 38.362 38.000 0.064 0.000 1.092 151 I HN 0.084 nan 8.210 nan 0.000 0.442 152 D N 0.366 120.818 120.400 0.087 0.000 2.349 152 D HA 0.070 4.710 4.640 0.001 0.000 0.215 152 D C 0.584 176.925 176.300 0.069 0.000 1.016 152 D CA 0.291 54.333 54.000 0.071 0.000 0.870 152 D CB 0.463 41.295 40.800 0.054 0.000 0.917 152 D HN 0.138 nan 8.370 nan 0.000 0.524 153 V N 2.080 122.050 119.914 0.093 0.000 2.614 153 V HA 0.177 4.297 4.120 0.001 0.000 0.291 153 V C 0.573 176.705 176.094 0.064 0.000 1.049 153 V CA -0.034 62.300 62.300 0.058 0.000 1.038 153 V CB 1.528 33.378 31.823 0.046 0.000 0.980 153 V HN -0.063 nan 8.190 nan 0.000 0.481 154 I N 5.697 126.255 120.570 -0.019 0.000 2.646 154 I HA 0.701 4.872 4.170 0.001 0.000 0.299 154 I C -0.382 175.624 176.117 -0.184 0.000 1.036 154 I CA -0.619 60.653 61.300 -0.048 0.000 1.074 154 I CB 1.905 39.889 38.000 -0.026 0.000 1.258 154 I HN 0.591 nan 8.210 nan 0.000 0.430 155 L N 3.372 124.462 121.223 -0.221 0.000 2.765 155 L HA 0.760 5.100 4.340 0.001 0.000 0.263 155 L C -3.093 173.584 176.870 -0.321 0.000 1.068 155 L CA -2.036 52.558 54.840 -0.409 0.000 0.903 155 L CB 1.997 43.684 42.059 -0.619 0.000 1.512 155 L HN 0.152 nan 8.230 nan 0.000 0.404 156 P HA 0.313 nan 4.420 nan 0.000 0.275 156 P C -0.659 176.449 177.300 -0.320 0.000 1.228 156 P CA 0.034 62.911 63.100 -0.371 0.000 0.786 156 P CB 1.133 32.546 31.700 -0.477 0.000 0.927 157 G N 1.767 110.396 108.800 -0.285 0.000 2.343 157 G HA2 0.493 4.454 3.960 0.001 0.000 0.319 157 G HA3 0.493 4.454 3.960 0.001 0.000 0.319 157 G C -1.514 173.266 174.900 -0.200 0.000 1.126 157 G CA -0.174 44.870 45.100 -0.094 0.000 0.889 157 G HN 0.324 nan 8.290 nan 0.000 0.457 158 Y N 0.338 120.737 120.300 0.164 0.000 2.387 158 Y HA 0.593 5.144 4.550 0.001 0.000 0.336 158 Y C 0.678 176.636 175.900 0.097 0.000 1.067 158 Y CA -0.532 57.666 58.100 0.163 0.000 1.114 158 Y CB 2.854 41.461 38.460 0.245 0.000 1.208 158 Y HN 0.386 nan 8.280 nan 0.000 0.458 159 T N 2.563 117.250 114.554 0.221 0.000 2.965 159 T HA 0.288 4.639 4.350 0.001 0.000 0.306 159 T C -0.892 173.879 174.700 0.118 0.000 0.991 159 T CA -0.821 61.302 62.100 0.040 0.000 1.001 159 T CB -0.082 68.792 68.868 0.010 0.000 0.984 159 T HN 0.860 nan 8.240 nan 0.000 0.446 160 H N 2.534 121.691 119.070 0.144 0.000 2.936 160 H HA -0.132 4.425 4.556 0.001 0.000 0.276 160 H C 0.905 176.320 175.328 0.146 0.000 1.216 160 H CA 0.445 56.563 56.048 0.117 0.000 1.132 160 H CB -1.591 28.228 29.762 0.095 0.000 1.303 160 H HN 0.640 nan 8.280 nan 0.000 0.370 161 L N -1.873 119.512 121.223 0.270 0.000 4.291 161 L HA -0.301 4.040 4.340 0.001 0.000 0.413 161 L C -0.208 176.906 176.870 0.407 0.000 1.162 161 L CA 0.946 55.945 54.840 0.264 0.000 0.961 161 L CB -0.532 41.611 42.059 0.141 0.000 2.095 161 L HN 0.449 nan 8.230 nan 0.000 0.838 162 Q N 0.370 120.445 119.800 0.459 0.000 2.342 162 Q HA 0.401 4.742 4.340 0.001 0.000 0.267 162 Q C -0.111 176.085 176.000 0.327 0.000 1.038 162 Q CA -0.638 55.391 55.803 0.378 0.000 0.832 162 Q CB 1.944 30.825 28.738 0.239 0.000 1.323 162 Q HN 0.128 nan 8.270 nan 0.000 0.448 163 K N 0.902 121.383 120.400 0.136 0.000 2.447 163 K HA 0.158 4.478 4.320 0.001 0.000 0.281 163 K C 0.441 176.990 176.600 -0.085 0.000 1.031 163 K CA 0.216 56.371 56.287 -0.220 0.000 1.019 163 K CB 0.600 32.998 32.500 -0.171 0.000 0.918 163 K HN 0.683 nan 8.250 nan 0.000 0.476 164 A N 3.866 126.613 122.820 -0.121 0.000 1.969 164 A HA 0.018 4.338 4.320 0.001 0.000 0.205 164 A C 0.088 177.662 177.584 -0.017 0.000 1.364 164 A CA 0.589 52.614 52.037 -0.018 0.000 0.756 164 A CB 0.260 19.267 19.000 0.012 0.000 0.988 164 A HN 0.798 nan 8.150 nan 0.000 0.490 165 Q N -1.607 118.157 119.800 -0.061 0.000 2.578 165 Q HA 0.474 4.814 4.340 0.001 0.000 0.284 165 Q C -3.230 172.731 176.000 -0.065 0.000 0.960 165 Q CA -2.121 53.672 55.803 -0.017 0.000 0.809 165 Q CB 1.152 29.914 28.738 0.039 0.000 1.462 165 Q HN -0.033 nan 8.270 nan 0.000 0.392 166 P HA 0.168 nan 4.420 nan 0.000 0.266 166 P C -0.866 176.423 177.300 -0.018 0.000 1.195 166 P CA 0.239 63.305 63.100 -0.057 0.000 0.768 166 P CB 0.424 32.157 31.700 0.056 0.000 0.838 167 I N 2.350 122.898 120.570 -0.037 0.000 2.827 167 I HA 0.280 4.450 4.170 0.001 0.000 0.298 167 I C 0.234 176.377 176.117 0.044 0.000 1.235 167 I CA -0.817 60.486 61.300 0.005 0.000 1.021 167 I CB 2.571 40.579 38.000 0.013 0.000 1.259 167 I HN 0.265 nan 8.210 nan 0.000 0.427 168 R N 3.771 124.320 120.500 0.082 0.000 2.438 168 R HA 0.048 4.388 4.340 0.001 0.000 0.287 168 R C 1.054 177.479 176.300 0.209 0.000 1.077 168 R CA -0.223 55.950 56.100 0.122 0.000 1.034 168 R CB 1.208 31.571 30.300 0.105 0.000 0.993 168 R HN 0.748 nan 8.270 nan 0.000 0.459 169 W N 3.243 124.546 121.300 0.006 0.000 2.321 169 W HA -0.273 4.388 4.660 0.002 0.000 0.306 169 W C 0.878 177.489 176.519 0.154 0.000 1.217 169 W CA 1.695 59.066 57.345 0.042 0.000 1.257 169 W CB 0.079 29.531 29.460 -0.012 0.000 1.145 169 W HN 0.517 nan 8.180 nan 0.000 0.509 170 S N 0.449 116.198 115.700 0.082 0.000 2.382 170 S HA -0.314 4.156 4.470 0.001 0.000 0.228 170 S C 1.520 176.089 174.600 -0.051 0.000 1.027 170 S CA 1.892 60.055 58.200 -0.061 0.000 0.991 170 S CB -0.566 62.643 63.200 0.014 0.000 0.823 170 S HN 0.369 nan 8.310 nan 0.000 0.469 171 Q N 0.662 120.475 119.800 0.023 0.000 2.170 171 Q HA -0.051 4.289 4.340 0.001 0.000 0.203 171 Q C 1.657 177.653 176.000 -0.006 0.000 0.976 171 Q CA 1.332 57.139 55.803 0.006 0.000 0.858 171 Q CB -0.445 28.312 28.738 0.032 0.000 0.907 171 Q HN 0.588 nan 8.270 nan 0.000 0.433 172 F N -0.420 119.468 119.950 -0.103 0.000 2.149 172 F HA 0.000 4.529 4.527 0.002 0.000 0.294 172 F C 1.427 177.135 175.800 -0.153 0.000 1.095 172 F CA 1.044 58.989 58.000 -0.093 0.000 1.276 172 F CB -0.062 38.949 39.000 0.019 0.000 1.023 172 F HN 0.079 nan 8.300 nan 0.000 0.480 173 L N 0.144 121.217 121.223 -0.249 0.000 2.083 173 L HA -0.223 4.117 4.340 0.001 0.000 0.209 173 L C 2.381 179.109 176.870 -0.237 0.000 1.083 173 L CA 1.073 55.730 54.840 -0.306 0.000 0.752 173 L CB -0.761 41.079 42.059 -0.364 0.000 0.899 173 L HN 0.251 nan 8.230 nan 0.000 0.433 174 L N -0.476 120.624 121.223 -0.205 0.000 2.201 174 L HA -0.149 4.191 4.340 0.001 0.000 0.212 174 L C 2.838 179.576 176.870 -0.220 0.000 1.105 174 L CA 1.225 55.965 54.840 -0.166 0.000 0.775 174 L CB -0.599 41.391 42.059 -0.115 0.000 0.913 174 L HN 0.393 nan 8.230 nan 0.000 0.440 175 S N -1.578 113.922 115.700 -0.333 0.000 2.399 175 S HA -0.192 4.279 4.470 0.001 0.000 0.231 175 S C 1.886 176.179 174.600 -0.511 0.000 1.022 175 S CA 0.788 58.734 58.200 -0.424 0.000 0.983 175 S CB -0.514 62.367 63.200 -0.532 0.000 0.803 175 S HN 0.462 nan 8.310 nan 0.000 0.480 176 H N 1.689 120.535 119.070 -0.374 0.000 2.372 176 H HA 0.261 4.818 4.556 0.001 0.000 0.301 176 H C 2.726 177.915 175.328 -0.232 0.000 1.065 176 H CA 1.253 57.103 56.048 -0.329 0.000 1.364 176 H CB -0.789 28.759 29.762 -0.356 0.000 1.406 176 H HN 0.578 nan 8.280 nan 0.000 0.521 177 A N 0.942 123.707 122.820 -0.092 0.000 1.908 177 A HA -0.125 4.196 4.320 0.001 0.000 0.218 177 A C 2.805 180.338 177.584 -0.084 0.000 1.181 177 A CA 1.673 53.667 52.037 -0.072 0.000 0.627 177 A CB -0.910 18.048 19.000 -0.071 0.000 0.818 177 A HN 0.197 nan 8.150 nan 0.000 0.445 178 V N -0.183 119.658 119.914 -0.122 0.000 2.343 178 V HA -0.262 3.859 4.120 0.001 0.000 0.247 178 V C 3.034 179.053 176.094 -0.125 0.000 1.051 178 V CA 1.996 64.229 62.300 -0.112 0.000 1.036 178 V CB -1.243 30.503 31.823 -0.129 0.000 0.654 178 V HN 0.629 nan 8.190 nan 0.000 0.451 179 A N -0.271 122.421 122.820 -0.215 0.000 1.898 179 A HA -0.119 4.202 4.320 0.001 0.000 0.216 179 A C 2.189 179.694 177.584 -0.132 0.000 1.181 179 A CA 1.615 53.452 52.037 -0.333 0.000 0.620 179 A CB -0.533 18.032 19.000 -0.723 0.000 0.819 179 A HN 0.500 nan 8.150 nan 0.000 0.442 180 L N 0.239 121.431 121.223 -0.052 0.000 2.191 180 L HA -0.170 4.171 4.340 0.001 0.000 0.212 180 L C 2.932 179.855 176.870 0.088 0.000 1.103 180 L CA 1.707 56.597 54.840 0.084 0.000 0.769 180 L CB -0.821 41.268 42.059 0.049 0.000 0.908 180 L HN 0.676 nan 8.230 nan 0.000 0.438 181 T N -3.075 111.500 114.554 0.036 0.000 2.867 181 T HA -0.166 4.184 4.350 0.001 0.000 0.268 181 T C 1.983 176.719 174.700 0.060 0.000 1.057 181 T CA 0.633 62.756 62.100 0.038 0.000 1.136 181 T CB -0.245 68.627 68.868 0.006 0.000 0.874 181 T HN 0.270 nan 8.240 nan 0.000 0.466 182 R N 1.132 121.675 120.500 0.070 0.000 2.120 182 R HA -0.051 4.290 4.340 0.001 0.000 0.234 182 R C 2.143 178.528 176.300 0.143 0.000 1.123 182 R CA 1.521 57.677 56.100 0.092 0.000 0.975 182 R CB -0.323 30.036 30.300 0.098 0.000 0.866 182 R HN 0.473 nan 8.270 nan 0.000 0.446 183 D N -0.108 120.413 120.400 0.201 0.000 2.117 183 D HA -0.117 4.523 4.640 0.001 0.000 0.197 183 D C 1.844 178.298 176.300 0.256 0.000 0.987 183 D CA 1.135 55.306 54.000 0.286 0.000 0.829 183 D CB -0.261 40.716 40.800 0.295 0.000 0.961 183 D HN -0.009 nan 8.370 nan 0.000 0.460 184 S N 0.148 115.944 115.700 0.160 0.000 2.359 184 S HA -0.206 4.264 4.470 0.001 0.000 0.224 184 S C 1.836 176.449 174.600 0.020 0.000 1.035 184 S CA 1.348 59.595 58.200 0.078 0.000 1.018 184 S CB -0.083 63.151 63.200 0.056 0.000 0.876 184 S HN 0.260 nan 8.310 nan 0.000 0.448 185 E N 0.212 120.434 120.200 0.037 0.000 2.085 185 E HA -0.160 4.190 4.350 0.001 0.000 0.194 185 E C 2.334 178.934 176.600 0.000 0.000 0.994 185 E CA 1.044 57.453 56.400 0.015 0.000 0.801 185 E CB -0.002 29.714 29.700 0.027 0.000 0.743 185 E HN 0.388 nan 8.360 nan 0.000 0.453 186 R N 0.072 120.591 120.500 0.031 0.000 2.115 186 R HA -0.063 4.278 4.340 0.001 0.000 0.230 186 R C 2.582 178.789 176.300 -0.156 0.000 1.111 186 R CA 0.835 56.945 56.100 0.017 0.000 0.976 186 R CB -0.252 30.136 30.300 0.146 0.000 0.870 186 R HN 0.281 nan 8.270 nan 0.000 0.445 187 L N 0.080 121.108 121.223 -0.324 0.000 2.056 187 L HA -0.068 4.273 4.340 0.001 0.000 0.207 187 L C 2.188 178.886 176.870 -0.286 0.000 1.078 187 L CA 1.608 56.065 54.840 -0.639 0.000 0.749 187 L CB -0.548 41.140 42.059 -0.619 0.000 0.901 187 L HN 0.256 nan 8.230 nan 0.000 0.433 188 G N -0.765 107.942 108.800 -0.156 0.000 2.418 188 G HA2 -0.270 3.691 3.960 0.001 0.000 0.217 188 G HA3 -0.270 3.691 3.960 0.001 0.000 0.217 188 G C 1.319 176.176 174.900 -0.073 0.000 1.158 188 G CA 0.827 45.870 45.100 -0.094 0.000 0.771 188 G HN 0.483 nan 8.290 nan 0.000 0.545 189 E N -0.056 120.108 120.200 -0.060 0.000 2.110 189 E HA -0.114 4.237 4.350 0.001 0.000 0.193 189 E C 2.818 179.407 176.600 -0.018 0.000 0.988 189 E CA 1.362 57.745 56.400 -0.027 0.000 0.804 189 E CB -0.171 29.526 29.700 -0.006 0.000 0.745 189 E HN 0.447 nan 8.360 nan 0.000 0.458 190 V N -0.331 119.559 119.914 -0.040 0.000 2.548 190 V HA -0.159 3.962 4.120 0.001 0.000 0.249 190 V C 2.067 178.164 176.094 0.005 0.000 1.055 190 V CA 1.583 63.890 62.300 0.011 0.000 1.065 190 V CB -0.306 31.542 31.823 0.041 0.000 0.681 190 V HN 0.065 nan 8.190 nan 0.000 0.462 191 K N -0.061 120.311 120.400 -0.048 0.000 2.097 191 K HA -0.140 4.180 4.320 0.001 0.000 0.206 191 K C 2.304 178.891 176.600 -0.022 0.000 1.049 191 K CA 1.369 57.626 56.287 -0.049 0.000 0.933 191 K CB -0.083 32.368 32.500 -0.081 0.000 0.717 191 K HN 0.403 nan 8.250 nan 0.000 0.442 192 K N 0.474 120.865 120.400 -0.016 0.000 2.044 192 K HA -0.174 4.147 4.320 0.001 0.000 0.210 192 K C 2.040 178.649 176.600 0.016 0.000 1.049 192 K CA 1.490 57.776 56.287 -0.002 0.000 0.927 192 K CB -0.256 32.243 32.500 -0.001 0.000 0.713 192 K HN 0.210 nan 8.250 nan 0.000 0.443 193 R N 0.184 120.701 120.500 0.028 0.000 2.240 193 R HA 0.162 4.503 4.340 0.001 0.000 0.203 193 R C 2.317 178.639 176.300 0.037 0.000 1.011 193 R CA 0.285 56.410 56.100 0.043 0.000 1.007 193 R CB -0.030 30.311 30.300 0.068 0.000 0.911 193 R HN 0.166 nan 8.270 nan 0.000 0.468 194 I N 0.731 121.321 120.570 0.034 0.000 2.617 194 I HA -0.149 4.021 4.170 0.001 0.000 0.256 194 I C 1.047 177.184 176.117 0.035 0.000 1.167 194 I CA 0.524 61.819 61.300 -0.009 0.000 1.469 194 I CB -0.080 37.924 38.000 0.006 0.000 1.098 194 I HN 0.031 nan 8.210 nan 0.000 0.436 195 N N 1.426 120.169 118.700 0.072 0.000 2.683 195 N HA 0.057 4.797 4.740 0.001 0.000 0.256 195 N C -0.890 174.778 175.510 0.263 0.000 1.270 195 N CA 0.200 53.360 53.050 0.184 0.000 0.954 195 N CB -0.124 38.400 38.487 0.060 0.000 1.289 195 N HN -0.079 nan 8.380 nan 0.000 0.508 196 V N 1.647 121.643 119.914 0.136 0.000 2.487 196 V HA 0.279 4.399 4.120 0.001 0.000 0.298 196 V C -0.076 175.738 176.094 -0.466 0.000 1.028 196 V CA -1.163 61.091 62.300 -0.076 0.000 0.860 196 V CB 1.906 33.678 31.823 -0.084 0.000 0.991 196 V HN 0.097 nan 8.190 nan 0.000 0.427 197 L N 9.448 130.286 121.223 -0.641 0.000 2.433 197 L HA 0.379 4.719 4.340 0.001 0.000 0.275 197 L C -1.424 175.136 176.870 -0.518 0.000 1.128 197 L CA -0.365 53.897 54.840 -0.964 0.000 0.875 197 L CB 0.884 42.583 42.059 -0.599 0.000 1.171 197 L HN 0.430 nan 8.230 nan 0.000 0.463 198 P HA 0.010 nan 4.420 nan 0.000 0.252 198 P C 0.281 177.458 177.300 -0.205 0.000 1.211 198 P CA -0.227 62.710 63.100 -0.272 0.000 0.824 198 P CB 0.343 31.899 31.700 -0.239 0.000 1.077 199 L N 1.374 122.459 121.223 -0.229 0.000 2.514 199 L HA 0.334 4.674 4.340 0.001 0.000 0.280 199 L C 1.284 178.098 176.870 -0.094 0.000 1.223 199 L CA 1.982 56.731 54.840 -0.150 0.000 0.864 199 L CB -0.918 41.072 42.059 -0.115 0.000 1.118 199 L HN 0.414 nan 8.230 nan 0.000 0.494 200 G N 2.360 111.118 108.800 -0.071 0.000 2.130 200 G HA2 -0.240 3.721 3.960 0.001 0.000 0.216 200 G HA3 -0.240 3.721 3.960 0.001 0.000 0.216 200 G C 0.675 175.552 174.900 -0.037 0.000 0.999 200 G CA 0.289 45.382 45.100 -0.011 0.000 0.686 200 G HN 0.704 nan 8.290 nan 0.000 0.515 201 S N -0.091 115.569 115.700 -0.067 0.000 2.540 201 S HA 0.495 4.965 4.470 0.001 0.000 0.218 201 S C 1.797 176.362 174.600 -0.059 0.000 0.977 201 S CA 1.075 59.241 58.200 -0.057 0.000 0.918 201 S CB 0.402 63.566 63.200 -0.059 0.000 0.806 201 S HN 2.205 nan 8.310 nan 0.000 0.496 202 G N 1.980 110.733 108.800 -0.079 0.000 2.598 202 G HA2 -0.216 3.744 3.960 0.001 0.000 0.269 202 G HA3 -0.216 3.744 3.960 0.001 0.000 0.269 202 G C 0.905 175.746 174.900 -0.097 0.000 1.289 202 G CA -0.095 44.953 45.100 -0.087 0.000 0.926 202 G HN 0.652 nan 8.290 nan 0.000 0.567 203 A N -1.187 121.581 122.820 -0.086 0.000 2.014 203 A HA 0.433 4.754 4.320 0.001 0.000 0.218 203 A C 2.161 179.708 177.584 -0.061 0.000 1.163 203 A CA 3.131 55.111 52.037 -0.095 0.000 0.652 203 A CB -0.369 18.586 19.000 -0.076 0.000 0.808 203 A HN 2.190 nan 8.150 nan 0.000 0.449 204 L N -7.210 113.992 121.223 -0.035 0.000 2.899 204 L HA 0.391 4.732 4.340 0.001 0.000 0.329 204 L C 1.510 178.376 176.870 -0.007 0.000 1.061 204 L CA 0.593 55.428 54.840 -0.009 0.000 1.569 204 L CB -0.440 41.626 42.059 0.012 0.000 2.617 204 L HN -0.013 nan 8.230 nan 0.000 0.549 205 A N 0.932 123.745 122.820 -0.012 0.000 2.238 205 A HA 0.732 5.053 4.320 0.001 0.000 0.210 205 A C 1.236 178.813 177.584 -0.012 0.000 1.179 205 A CA 0.914 52.946 52.037 -0.008 0.000 0.827 205 A CB -0.383 18.613 19.000 -0.006 0.000 0.856 205 A HN 1.324 nan 8.150 nan 0.000 0.488 206 G N -0.530 108.259 108.800 -0.019 0.000 2.384 206 G HA2 -0.059 3.902 3.960 0.001 0.000 0.668 206 G HA3 -0.059 3.902 3.960 0.001 0.000 0.668 206 G C -0.833 174.056 174.900 -0.019 0.000 1.280 206 G CA -0.297 44.792 45.100 -0.020 0.000 0.992 206 G HN 0.457 nan 8.290 nan 0.000 0.512 207 N N 1.253 119.947 118.700 -0.009 0.000 2.444 207 N HA 0.407 5.148 4.740 0.001 0.000 0.271 207 N C -0.932 174.582 175.510 0.005 0.000 1.069 207 N CA -1.138 51.916 53.050 0.006 0.000 0.965 207 N CB 1.815 40.324 38.487 0.037 0.000 1.092 207 N HN 0.355 nan 8.380 nan 0.000 0.476 208 P HA 0.094 nan 4.420 nan 0.000 0.249 208 P C 0.708 178.009 177.300 0.002 0.000 1.229 208 P CA 0.399 63.500 63.100 0.002 0.000 0.788 208 P CB 0.405 32.105 31.700 0.001 0.000 1.072 209 L N -0.713 120.514 121.223 0.005 0.000 2.628 209 L HA 0.190 4.531 4.340 0.001 0.000 0.229 209 L C 0.430 177.292 176.870 -0.013 0.000 1.137 209 L CA 0.007 54.844 54.840 -0.006 0.000 0.909 209 L CB -0.858 41.194 42.059 -0.012 0.000 1.137 209 L HN -0.037 nan 8.230 nan 0.000 0.470 210 D N 0.665 121.060 120.400 -0.008 0.000 2.837 210 D HA -0.233 4.407 4.640 0.001 0.000 0.230 210 D C 0.162 176.451 176.300 -0.017 0.000 1.152 210 D CA 0.340 54.333 54.000 -0.011 0.000 0.736 210 D CB -0.710 40.082 40.800 -0.013 0.000 1.084 210 D HN 0.132 nan 8.370 nan 0.000 0.429 211 I N 0.803 121.363 120.570 -0.016 0.000 2.813 211 I HA 0.047 4.218 4.170 0.001 0.000 0.287 211 I C 0.605 176.711 176.117 -0.018 0.000 1.196 211 I CA 0.244 61.527 61.300 -0.029 0.000 1.421 211 I CB 0.601 38.594 38.000 -0.012 0.000 1.365 211 I HN 0.058 nan 8.210 nan 0.000 0.591 212 D N 6.194 126.578 120.400 -0.027 0.000 2.435 212 D HA 0.126 4.767 4.640 0.001 0.000 0.230 212 D C 1.163 177.461 176.300 -0.003 0.000 1.215 212 D CA 0.150 54.141 54.000 -0.016 0.000 0.947 212 D CB 0.328 41.116 40.800 -0.020 0.000 1.048 212 D HN 0.397 nan 8.370 nan 0.000 0.512 213 R N 2.136 122.636 120.500 0.000 0.000 2.081 213 R HA -0.178 4.162 4.340 0.001 0.000 0.235 213 R C 1.517 177.819 176.300 0.003 0.000 1.131 213 R CA 1.079 57.180 56.100 0.002 0.000 0.960 213 R CB -0.025 30.267 30.300 -0.013 0.000 0.856 213 R HN 0.358 nan 8.270 nan 0.000 0.436 214 E N 1.183 121.383 120.200 0.001 0.000 2.160 214 E HA -0.198 4.152 4.350 0.001 0.000 0.195 214 E C 1.829 178.438 176.600 0.015 0.000 0.991 214 E CA 1.386 57.790 56.400 0.006 0.000 0.810 214 E CB -0.147 29.554 29.700 0.002 0.000 0.742 214 E HN 0.233 nan 8.360 nan 0.000 0.466 215 M N -0.563 119.044 119.600 0.012 0.000 2.200 215 M HA -0.066 4.415 4.480 0.001 0.000 0.265 215 M C 1.874 178.194 176.300 0.033 0.000 1.066 215 M CA 1.074 56.383 55.300 0.015 0.000 1.127 215 M CB -0.002 32.599 32.600 0.001 0.000 1.379 215 M HN 0.212 nan 8.290 nan 0.000 0.420 216 L N -0.558 120.689 121.223 0.041 0.000 2.046 216 L HA -0.239 4.102 4.340 0.001 0.000 0.208 216 L C 2.689 179.619 176.870 0.099 0.000 1.077 216 L CA 1.264 56.147 54.840 0.072 0.000 0.747 216 L CB -0.777 41.327 42.059 0.075 0.000 0.896 216 L HN 0.366 nan 8.230 nan 0.000 0.432 217 R N 0.039 120.588 120.500 0.081 0.000 2.082 217 R HA -0.175 4.165 4.340 0.001 0.000 0.234 217 R C 2.490 178.867 176.300 0.128 0.000 1.136 217 R CA 2.096 58.274 56.100 0.131 0.000 0.935 217 R CB -0.234 30.112 30.300 0.076 0.000 0.842 217 R HN 0.235 nan 8.270 nan 0.000 0.430 218 S N 0.901 116.644 115.700 0.071 0.000 2.372 218 S HA -0.181 4.289 4.470 0.001 0.000 0.227 218 S C 1.715 176.340 174.600 0.042 0.000 1.044 218 S CA 1.529 59.756 58.200 0.045 0.000 1.050 218 S CB -0.326 62.891 63.200 0.027 0.000 0.901 218 S HN 0.390 nan 8.310 nan 0.000 0.447 219 E N 1.023 121.254 120.200 0.051 0.000 2.058 219 E HA -0.070 4.280 4.350 0.001 0.000 0.194 219 E C 2.006 178.634 176.600 0.046 0.000 0.997 219 E CA 0.940 57.367 56.400 0.045 0.000 0.801 219 E CB -0.361 29.372 29.700 0.055 0.000 0.746 219 E HN 0.494 nan 8.360 nan 0.000 0.450 220 L N 0.069 121.348 121.223 0.094 0.000 2.554 220 L HA 0.023 4.363 4.340 0.001 0.000 0.226 220 L C 0.335 177.155 176.870 -0.083 0.000 1.137 220 L CA 0.288 55.174 54.840 0.076 0.000 0.863 220 L CB -0.217 42.015 42.059 0.288 0.000 0.985 220 L HN 0.093 nan 8.230 nan 0.000 0.451 221 E N -1.737 118.447 120.200 -0.027 0.000 3.181 221 E HA -0.222 4.129 4.350 0.001 0.000 0.293 221 E C -0.095 176.417 176.600 -0.147 0.000 0.936 221 E CA 0.111 56.455 56.400 -0.094 0.000 0.975 221 E CB -1.681 27.935 29.700 -0.141 0.000 1.496 221 E HN 0.256 nan 8.360 nan 0.000 0.429 222 F N -0.033 119.896 119.950 -0.034 0.000 2.403 222 F HA 0.323 4.848 4.527 -0.003 0.000 0.320 222 F C 1.715 177.493 175.800 -0.036 0.000 1.176 222 F CA 0.548 58.522 58.000 -0.043 0.000 1.206 222 F CB 0.528 39.499 39.000 -0.048 0.000 1.235 222 F HN 0.022 nan 8.300 nan 0.000 0.565 223 A N 0.475 123.397 122.820 0.170 0.000 2.030 223 A HA 0.240 4.560 4.320 0.001 0.000 0.215 223 A C 0.502 178.127 177.584 0.068 0.000 1.164 223 A CA 1.058 53.143 52.037 0.080 0.000 0.697 223 A CB -0.403 18.624 19.000 0.044 0.000 0.827 223 A HN 0.627 nan 8.150 nan 0.000 0.457 224 S N -1.223 114.523 115.700 0.077 0.000 2.752 224 S HA 0.705 5.175 4.470 0.001 0.000 0.284 224 S C -0.855 173.732 174.600 -0.021 0.000 1.189 224 S CA -0.355 57.859 58.200 0.024 0.000 0.835 224 S CB 1.029 64.235 63.200 0.009 0.000 1.192 224 S HN 0.817 nan 8.310 nan 0.000 0.506 225 I N -0.132 120.411 120.570 -0.045 0.000 2.646 225 I HA 0.675 4.845 4.170 0.001 0.000 0.299 225 I C -0.040 176.029 176.117 -0.081 0.000 1.036 225 I CA -0.718 60.528 61.300 -0.089 0.000 1.074 225 I CB 1.448 39.408 38.000 -0.067 0.000 1.258 225 I HN 0.926 nan 8.210 nan 0.000 0.430 226 S N 4.760 120.395 115.700 -0.108 0.000 2.552 226 S HA 0.166 4.637 4.470 0.001 0.000 0.289 226 S C 0.820 175.391 174.600 -0.048 0.000 1.304 226 S CA -0.456 57.697 58.200 -0.078 0.000 1.063 226 S CB 0.844 63.989 63.200 -0.091 0.000 0.848 226 S HN 0.619 nan 8.310 nan 0.000 0.499 227 L N 1.539 122.744 121.223 -0.030 0.000 2.179 227 L HA 0.246 4.586 4.340 0.001 0.000 0.208 227 L C 1.292 178.152 176.870 -0.016 0.000 1.096 227 L CA 1.009 55.837 54.840 -0.019 0.000 0.779 227 L CB -0.638 41.414 42.059 -0.011 0.000 0.922 227 L HN 0.797 nan 8.230 nan 0.000 0.443 228 N N -1.206 117.486 118.700 -0.014 0.000 2.352 228 N HA 0.073 4.813 4.740 0.001 0.000 0.291 228 N C 0.836 176.340 175.510 -0.011 0.000 1.040 228 N CA 0.557 53.601 53.050 -0.009 0.000 0.864 228 N CB 1.828 40.315 38.487 -0.000 0.000 1.440 228 N HN 0.003 nan 8.380 nan 0.000 0.483 229 S N 3.875 119.568 115.700 -0.012 0.000 2.370 229 S HA -0.183 4.287 4.470 0.001 0.000 0.226 229 S C 1.923 176.523 174.600 -0.002 0.000 1.033 229 S CA 0.995 59.186 58.200 -0.015 0.000 1.011 229 S CB -0.199 62.991 63.200 -0.016 0.000 0.852 229 S HN 0.667 nan 8.310 nan 0.000 0.457 230 M N 1.612 121.216 119.600 0.007 0.000 2.086 230 M HA -0.089 4.391 4.480 0.001 0.000 0.261 230 M C 2.316 178.635 176.300 0.031 0.000 1.067 230 M CA 2.094 57.407 55.300 0.021 0.000 1.116 230 M CB -0.681 31.930 32.600 0.019 0.000 1.348 230 M HN 0.386 nan 8.290 nan 0.000 0.407 231 D N 0.447 120.862 120.400 0.024 0.000 2.084 231 D HA -0.143 4.497 4.640 0.001 0.000 0.194 231 D C 1.894 178.222 176.300 0.046 0.000 0.990 231 D CA 1.975 55.995 54.000 0.033 0.000 0.826 231 D CB -0.004 40.811 40.800 0.025 0.000 0.971 231 D HN 0.262 nan 8.370 nan 0.000 0.453 232 A N 0.286 123.122 122.820 0.026 0.000 1.948 232 A HA -0.165 4.156 4.320 0.001 0.000 0.220 232 A C 2.259 179.873 177.584 0.049 0.000 1.177 232 A CA 1.418 53.466 52.037 0.018 0.000 0.636 232 A CB -0.692 18.289 19.000 -0.032 0.000 0.815 232 A HN 0.393 nan 8.150 nan 0.000 0.449 233 I N 0.350 120.950 120.570 0.050 0.000 2.406 233 I HA -0.117 4.053 4.170 0.001 0.000 0.249 233 I C 2.599 178.808 176.117 0.155 0.000 1.122 233 I CA 1.987 63.337 61.300 0.082 0.000 1.431 233 I CB -1.166 36.868 38.000 0.057 0.000 1.087 233 I HN 0.526 nan 8.210 nan 0.000 0.424 234 S N 0.225 115.998 115.700 0.122 0.000 2.483 234 S HA 0.009 4.480 4.470 0.001 0.000 0.221 234 S C 0.724 175.369 174.600 0.076 0.000 1.030 234 S CA -0.441 57.821 58.200 0.104 0.000 0.925 234 S CB -0.389 62.852 63.200 0.069 0.000 0.795 234 S HN 0.514 nan 8.310 nan 0.000 0.511 235 E N 1.073 121.330 120.200 0.095 0.000 2.383 235 E HA 0.441 4.791 4.350 0.001 0.000 0.264 235 E C 0.153 176.816 176.600 0.105 0.000 1.050 235 E CA -0.431 56.024 56.400 0.091 0.000 0.896 235 E CB 0.463 30.232 29.700 0.116 0.000 0.982 235 E HN 0.067 nan 8.360 nan 0.000 0.424 236 R N 1.264 121.743 120.500 -0.035 0.000 2.592 236 R HA 0.170 4.511 4.340 0.001 0.000 0.439 236 R C -0.300 175.796 176.300 -0.340 0.000 0.995 236 R CA -0.067 55.841 56.100 -0.319 0.000 1.141 236 R CB -0.107 30.033 30.300 -0.266 0.000 1.495 236 R HN 0.662 nan 8.270 nan 0.000 0.579 237 D N -0.065 120.286 120.400 -0.081 0.000 2.149 237 D HA -0.199 4.441 4.640 0.001 0.000 0.198 237 D C 1.460 177.773 176.300 0.020 0.000 0.990 237 D CA 1.495 55.494 54.000 -0.002 0.000 0.839 237 D CB -0.157 40.696 40.800 0.088 0.000 0.948 237 D HN 0.405 nan 8.370 nan 0.000 0.460 238 F N -0.018 119.967 119.950 0.059 0.000 2.216 238 F HA -0.104 4.424 4.527 0.000 0.000 0.300 238 F C 2.039 177.914 175.800 0.126 0.000 1.085 238 F CA 0.507 58.555 58.000 0.079 0.000 1.326 238 F CB -1.107 37.928 39.000 0.059 0.000 1.027 238 F HN -0.154 nan 8.300 nan 0.000 0.497 239 V N 0.646 120.232 119.914 -0.548 0.000 2.323 239 V HA -0.210 3.911 4.120 0.001 0.000 0.244 239 V C 2.582 178.666 176.094 -0.017 0.000 1.041 239 V CA 1.517 63.668 62.300 -0.248 0.000 1.025 239 V CB -0.742 30.827 31.823 -0.424 0.000 0.656 239 V HN 0.351 nan 8.190 nan 0.000 0.451 240 V N 0.118 119.983 119.914 -0.081 0.000 2.255 240 V HA -0.318 3.802 4.120 0.001 0.000 0.247 240 V C 2.468 178.591 176.094 0.049 0.000 1.051 240 V CA 2.323 64.608 62.300 -0.024 0.000 1.018 240 V CB -0.776 31.023 31.823 -0.039 0.000 0.641 240 V HN 0.595 nan 8.190 nan 0.000 0.445 241 E N -0.650 119.607 120.200 0.095 0.000 2.097 241 E HA -0.271 4.079 4.350 0.001 0.000 0.196 241 E C 2.046 178.788 176.600 0.238 0.000 1.000 241 E CA 1.797 58.284 56.400 0.146 0.000 0.804 241 E CB -0.269 29.526 29.700 0.157 0.000 0.740 241 E HN 0.644 nan 8.360 nan 0.000 0.454 242 F N 1.372 121.407 119.950 0.142 0.000 2.146 242 F HA -0.126 4.401 4.527 -0.001 0.000 0.298 242 F C 1.890 177.835 175.800 0.241 0.000 1.096 242 F CA 1.190 59.335 58.000 0.242 0.000 1.275 242 F CB -0.237 38.880 39.000 0.195 0.000 1.008 242 F HN -0.102 nan 8.300 nan 0.000 0.480 243 L N -0.708 120.454 121.223 -0.101 0.000 2.093 243 L HA -0.182 4.158 4.340 0.001 0.000 0.208 243 L C 2.757 179.515 176.870 -0.187 0.000 1.085 243 L CA 1.423 56.106 54.840 -0.261 0.000 0.755 243 L CB -1.042 40.946 42.059 -0.119 0.000 0.904 243 L HN 0.255 nan 8.230 nan 0.000 0.435 244 S N 0.153 115.820 115.700 -0.056 0.000 2.368 244 S HA -0.216 4.254 4.470 0.001 0.000 0.224 244 S C 1.997 176.571 174.600 -0.044 0.000 1.029 244 S CA 1.294 59.478 58.200 -0.026 0.000 0.988 244 S CB -0.323 62.894 63.200 0.029 0.000 0.838 244 S HN 0.462 nan 8.310 nan 0.000 0.462 245 F N 2.508 122.396 119.950 -0.103 0.000 2.134 245 F HA 0.097 4.627 4.527 0.004 0.000 0.299 245 F C 2.200 177.900 175.800 -0.166 0.000 1.097 245 F CA 1.268 59.210 58.000 -0.096 0.000 1.264 245 F CB -1.081 37.907 39.000 -0.022 0.000 1.001 245 F HN 0.235 nan 8.300 nan 0.000 0.479 246 A N 0.203 122.466 122.820 -0.929 0.000 1.902 246 A HA -0.152 4.169 4.320 0.001 0.000 0.217 246 A C 2.196 179.434 177.584 -0.578 0.000 1.181 246 A CA 2.312 53.760 52.037 -0.982 0.000 0.623 246 A CB -1.531 16.998 19.000 -0.785 0.000 0.818 246 A HN 0.499 nan 8.150 nan 0.000 0.443 247 T N 0.174 114.505 114.554 -0.371 0.000 2.708 247 T HA -0.096 4.255 4.350 0.001 0.000 0.266 247 T C 1.844 176.383 174.700 -0.268 0.000 1.037 247 T CA 1.333 63.303 62.100 -0.217 0.000 1.146 247 T CB -0.349 68.480 68.868 -0.065 0.000 0.865 247 T HN 0.345 nan 8.240 nan 0.000 0.435 248 L N 0.451 121.486 121.223 -0.313 0.000 2.046 248 L HA -0.080 4.261 4.340 0.001 0.000 0.208 248 L C 2.414 178.928 176.870 -0.593 0.000 1.077 248 L CA 0.976 55.578 54.840 -0.396 0.000 0.747 248 L CB -0.362 41.506 42.059 -0.318 0.000 0.896 248 L HN 0.240 nan 8.230 nan 0.000 0.432 249 L N -0.540 120.354 121.223 -0.547 0.000 2.012 249 L HA -0.277 4.063 4.340 0.001 0.000 0.210 249 L C 2.452 179.153 176.870 -0.282 0.000 1.073 249 L CA 1.969 56.550 54.840 -0.431 0.000 0.748 249 L CB -0.540 41.212 42.059 -0.511 0.000 0.891 249 L HN 0.208 nan 8.230 nan 0.000 0.431 250 M N -0.852 118.583 119.600 -0.275 0.000 2.159 250 M HA -0.173 4.308 4.480 0.001 0.000 0.263 250 M C 2.275 178.495 176.300 -0.133 0.000 1.063 250 M CA 1.309 56.506 55.300 -0.171 0.000 1.110 250 M CB -1.090 31.417 32.600 -0.155 0.000 1.374 250 M HN 0.253 nan 8.290 nan 0.000 0.411 251 I N -0.731 119.733 120.570 -0.178 0.000 2.286 251 I HA -0.290 3.880 4.170 0.001 0.000 0.248 251 I C 2.287 178.407 176.117 0.006 0.000 1.115 251 I CA 1.579 62.810 61.300 -0.116 0.000 1.392 251 I CB -1.397 36.513 38.000 -0.151 0.000 1.065 251 I HN 0.437 nan 8.210 nan 0.000 0.418 252 H N -0.004 119.021 119.070 -0.074 0.000 2.389 252 H HA -0.056 4.500 4.556 0.000 0.000 0.299 252 H C 2.371 177.676 175.328 -0.040 0.000 1.081 252 H CA 0.674 56.696 56.048 -0.043 0.000 1.345 252 H CB 0.238 29.976 29.762 -0.039 0.000 1.393 252 H HN 0.225 nan 8.280 nan 0.000 0.520 253 L N 0.448 121.704 121.223 0.055 0.000 2.179 253 L HA -0.119 4.221 4.340 0.001 0.000 0.208 253 L C 2.690 179.533 176.870 -0.045 0.000 1.096 253 L CA 0.961 55.789 54.840 -0.019 0.000 0.779 253 L CB -0.230 41.803 42.059 -0.045 0.000 0.922 253 L HN 0.350 nan 8.230 nan 0.000 0.443 254 S N -0.300 115.377 115.700 -0.039 0.000 2.406 254 S HA -0.223 4.247 4.470 0.001 0.000 0.228 254 S C 1.968 176.541 174.600 -0.046 0.000 1.020 254 S CA 1.014 59.184 58.200 -0.051 0.000 0.965 254 S CB -0.170 62.995 63.200 -0.058 0.000 0.798 254 S HN 0.371 nan 8.310 nan 0.000 0.488 255 K N 0.863 121.253 120.400 -0.016 0.000 2.057 255 K HA 0.045 4.365 4.320 0.001 0.000 0.206 255 K C 2.368 178.962 176.600 -0.010 0.000 1.050 255 K CA 1.266 57.556 56.287 0.005 0.000 0.935 255 K CB -0.318 32.214 32.500 0.054 0.000 0.715 255 K HN 0.440 nan 8.250 nan 0.000 0.439 256 M N 0.289 119.850 119.600 -0.065 0.000 2.213 256 M HA -0.121 4.359 4.480 0.001 0.000 0.263 256 M C 1.973 178.165 176.300 -0.180 0.000 1.062 256 M CA 1.635 56.770 55.300 -0.276 0.000 1.105 256 M CB -0.067 32.292 32.600 -0.401 0.000 1.385 256 M HN 0.335 nan 8.290 nan 0.000 0.417 257 A N -0.284 122.463 122.820 -0.121 0.000 1.897 257 A HA -0.193 4.127 4.320 0.001 0.000 0.215 257 A C 1.794 179.309 177.584 -0.115 0.000 1.181 257 A CA 1.907 53.883 52.037 -0.102 0.000 0.620 257 A CB -0.690 18.262 19.000 -0.079 0.000 0.821 257 A HN 0.580 nan 8.150 nan 0.000 0.443 258 E N 0.766 120.898 120.200 -0.113 0.000 2.038 258 E HA -0.213 4.137 4.350 0.001 0.000 0.195 258 E C 1.424 177.887 176.600 -0.228 0.000 1.000 258 E CA 1.879 58.196 56.400 -0.138 0.000 0.803 258 E CB -0.254 29.384 29.700 -0.104 0.000 0.750 258 E HN 0.539 nan 8.360 nan 0.000 0.448 259 D N 0.184 120.442 120.400 -0.236 0.000 2.087 259 D HA -0.172 4.469 4.640 0.001 0.000 0.192 259 D C 2.114 178.040 176.300 -0.622 0.000 0.993 259 D CA 1.389 55.101 54.000 -0.481 0.000 0.828 259 D CB -0.427 40.291 40.800 -0.136 0.000 0.968 259 D HN 0.265 nan 8.370 nan 0.000 0.448 260 L N 0.480 121.549 121.223 -0.257 0.000 2.187 260 L HA -0.134 4.206 4.340 0.001 0.000 0.213 260 L C 2.546 179.352 176.870 -0.106 0.000 1.100 260 L CA 0.592 55.377 54.840 -0.090 0.000 0.765 260 L CB -0.374 41.690 42.059 0.008 0.000 0.904 260 L HN 0.048 nan 8.230 nan 0.000 0.437 261 I N -0.051 120.423 120.570 -0.161 0.000 2.233 261 I HA -0.280 3.890 4.170 0.001 0.000 0.243 261 I C 2.460 178.455 176.117 -0.203 0.000 1.093 261 I CA 1.384 62.602 61.300 -0.137 0.000 1.380 261 I CB -0.107 37.819 38.000 -0.123 0.000 1.067 261 I HN 0.129 nan 8.210 nan 0.000 0.413 262 I N -0.201 120.161 120.570 -0.348 0.000 2.226 262 I HA -0.310 3.861 4.170 0.001 0.000 0.245 262 I C 2.300 178.049 176.117 -0.613 0.000 1.100 262 I CA 1.347 62.317 61.300 -0.549 0.000 1.374 262 I CB -0.430 37.128 38.000 -0.736 0.000 1.057 262 I HN 0.214 nan 8.210 nan 0.000 0.413 263 Y N 0.853 120.834 120.300 -0.531 0.000 2.497 263 Y HA -0.112 4.438 4.550 0.001 0.000 0.292 263 Y C 2.771 178.559 175.900 -0.186 0.000 1.137 263 Y CA 0.715 58.586 58.100 -0.383 0.000 1.285 263 Y CB -1.090 37.333 38.460 -0.062 0.000 0.991 263 Y HN 0.280 nan 8.280 nan 0.000 0.556 264 S N -1.380 114.324 115.700 0.006 0.000 2.556 264 S HA 0.047 4.518 4.470 0.001 0.000 0.216 264 S C 0.837 175.438 174.600 0.002 0.000 0.970 264 S CA -0.137 58.076 58.200 0.022 0.000 0.912 264 S CB -1.039 62.177 63.200 0.027 0.000 0.790 264 S HN 0.333 nan 8.310 nan 0.000 0.504 265 T N 0.609 115.151 114.554 -0.019 0.000 2.898 265 T HA 0.300 4.650 4.350 0.001 0.000 0.301 265 T C 1.360 176.088 174.700 0.047 0.000 1.049 265 T CA -0.001 62.110 62.100 0.019 0.000 1.095 265 T CB 1.112 70.011 68.868 0.051 0.000 0.976 265 T HN 0.262 nan 8.240 nan 0.000 0.539 266 S N 0.784 116.504 115.700 0.034 0.000 2.442 266 S HA -0.123 4.347 4.470 0.001 0.000 0.236 266 S C 1.489 176.097 174.600 0.014 0.000 1.007 266 S CA 0.797 59.010 58.200 0.020 0.000 0.965 266 S CB -0.530 62.677 63.200 0.012 0.000 0.773 266 S HN 0.812 nan 8.310 nan 0.000 0.504 267 E N 0.504 120.728 120.200 0.040 0.000 2.216 267 E HA 0.163 4.513 4.350 0.001 0.000 0.192 267 E C 1.188 177.713 176.600 -0.125 0.000 0.988 267 E CA 0.819 57.213 56.400 -0.010 0.000 0.834 267 E CB -0.230 29.494 29.700 0.041 0.000 0.772 267 E HN 0.620 nan 8.360 nan 0.000 0.479 268 F N -1.055 118.748 119.950 -0.244 0.000 2.399 268 F HA 0.285 4.812 4.527 0.001 0.000 0.282 268 F C 1.886 177.435 175.800 -0.419 0.000 1.027 268 F CA 0.882 58.576 58.000 -0.510 0.000 1.333 268 F CB -0.246 38.316 39.000 -0.730 0.000 1.132 268 F HN 0.095 nan 8.300 nan 0.000 0.590 269 G N -0.044 108.738 108.800 -0.029 0.000 2.168 269 G HA2 -0.316 3.644 3.960 0.001 0.000 0.257 269 G HA3 -0.316 3.644 3.960 0.001 0.000 0.257 269 G C 0.929 175.913 174.900 0.140 0.000 0.997 269 G CA 0.516 45.636 45.100 0.034 0.000 0.708 269 G HN 0.213 nan 8.290 nan 0.000 0.520 270 F N -0.435 119.506 119.950 -0.016 0.000 2.234 270 F HA 0.291 4.818 4.527 0.001 0.000 0.299 270 F C 1.655 177.342 175.800 -0.188 0.000 1.087 270 F CA 1.293 59.191 58.000 -0.169 0.000 1.340 270 F CB -0.525 38.285 39.000 -0.317 0.000 1.031 270 F HN 0.505 nan 8.300 nan 0.000 0.500 271 L N -4.283 117.003 121.223 0.105 0.000 2.630 271 L HA 0.789 5.130 4.340 0.001 0.000 0.258 271 L C -0.763 176.144 176.870 0.062 0.000 1.072 271 L CA -0.774 54.095 54.840 0.048 0.000 0.885 271 L CB 1.856 43.952 42.059 0.061 0.000 1.502 271 L HN -0.387 nan 8.230 nan 0.000 0.406 272 T N -0.617 113.973 114.554 0.060 0.000 2.912 272 T HA 0.523 4.873 4.350 0.001 0.000 0.299 272 T C -1.516 173.232 174.700 0.081 0.000 1.052 272 T CA -0.505 61.631 62.100 0.061 0.000 0.996 272 T CB 1.750 70.645 68.868 0.046 0.000 1.070 272 T HN 0.623 nan 8.240 nan 0.000 0.465 273 D N 1.946 122.398 120.400 0.085 0.000 2.225 273 D HA 0.368 5.009 4.640 0.001 0.000 0.249 273 D C 0.590 176.963 176.300 0.120 0.000 1.052 273 D CA -0.167 53.904 54.000 0.118 0.000 0.909 273 D CB 1.445 42.319 40.800 0.124 0.000 1.186 273 D HN 0.599 nan 8.370 nan 0.000 0.431 274 S N 0.847 116.649 115.700 0.170 0.000 2.584 274 S HA 0.018 4.489 4.470 0.001 0.000 0.270 274 S C 0.743 175.387 174.600 0.074 0.000 1.346 274 S CA -0.494 57.784 58.200 0.129 0.000 1.018 274 S CB 0.942 64.249 63.200 0.179 0.000 0.899 274 S HN 0.245 nan 8.310 nan 0.000 0.542 275 D N 1.660 122.068 120.400 0.012 0.000 2.265 275 D HA -0.055 4.586 4.640 0.001 0.000 0.208 275 D C 2.019 178.253 176.300 -0.110 0.000 0.977 275 D CA 1.488 55.471 54.000 -0.029 0.000 0.871 275 D CB -0.684 40.097 40.800 -0.031 0.000 0.925 275 D HN 0.733 nan 8.370 nan 0.000 0.485 276 A N -0.061 122.627 122.820 -0.220 0.000 2.015 276 A HA -0.085 4.235 4.320 0.001 0.000 0.219 276 A C 1.041 178.149 177.584 -0.793 0.000 1.163 276 A CA 0.702 52.413 52.037 -0.543 0.000 0.646 276 A CB -0.355 18.186 19.000 -0.765 0.000 0.806 276 A HN 0.155 nan 8.150 nan 0.000 0.448 277 F N 0.117 120.073 119.950 0.010 0.000 2.908 277 F HA 0.337 4.865 4.527 0.001 0.000 0.328 277 F C 0.735 176.538 175.800 0.006 0.000 1.211 277 F CA 0.181 58.185 58.000 0.007 0.000 1.291 277 F CB 0.168 39.174 39.000 0.010 0.000 0.962 277 F HN 0.193 nan 8.300 nan 0.000 0.505 278 S N -2.039 113.703 115.700 0.070 0.000 2.727 278 S HA 0.798 5.268 4.470 0.001 0.000 0.278 278 S C -0.699 173.911 174.600 0.016 0.000 1.186 278 S CA -0.775 57.459 58.200 0.055 0.000 0.836 278 S CB 2.533 65.770 63.200 0.062 0.000 1.186 278 S HN -0.147 nan 8.310 nan 0.000 0.499 279 T N 0.234 114.797 114.554 0.015 0.000 2.952 279 T HA 0.781 5.132 4.350 0.001 0.000 0.305 279 T C 0.113 174.817 174.700 0.006 0.000 1.064 279 T CA -0.242 61.860 62.100 0.004 0.000 1.008 279 T CB 1.493 70.363 68.868 0.004 0.000 1.078 279 T HN 1.108 nan 8.240 nan 0.000 0.459 280 G N 0.679 109.480 108.800 0.002 0.000 3.107 280 G HA2 0.753 4.714 3.960 0.001 0.000 0.232 280 G HA3 0.753 4.714 3.960 0.001 0.000 0.232 280 G C -1.096 173.805 174.900 0.001 0.000 1.339 280 G CA -0.648 44.454 45.100 0.003 0.000 1.033 280 G HN 0.742 nan 8.290 nan 0.000 0.567 281 S N -1.827 113.873 115.700 0.001 0.000 2.547 281 S HA 0.460 4.930 4.470 0.001 0.000 0.281 281 S C 1.215 175.815 174.600 0.000 0.000 1.118 281 S CA 0.308 58.508 58.200 0.000 0.000 0.947 281 S CB 1.654 64.855 63.200 0.001 0.000 1.053 281 S HN 1.047 nan 8.310 nan 0.000 0.482 282 S N 4.358 120.058 115.700 -0.001 0.000 2.368 282 S HA -0.067 4.403 4.470 0.001 0.000 0.224 282 S C 1.642 176.242 174.600 -0.000 0.000 1.029 282 S CA 0.821 59.020 58.200 -0.001 0.000 0.988 282 S CB -0.542 62.657 63.200 -0.001 0.000 0.838 282 S HN 0.570 nan 8.310 nan 0.000 0.462 283 L N 0.692 121.915 121.223 0.000 0.000 2.141 283 L HA 0.285 4.625 4.340 0.001 0.000 0.209 283 L C 1.177 178.047 176.870 0.001 0.000 1.094 283 L CA 1.385 56.226 54.840 0.000 0.000 0.763 283 L CB -0.751 41.308 42.059 0.000 0.000 0.908 283 L HN 0.392 nan 8.230 nan 0.000 0.437 284 M N -0.561 119.040 119.600 0.001 0.000 2.065 284 M HA 0.215 4.695 4.480 0.001 0.000 0.308 284 M C -1.636 174.666 176.300 0.003 0.000 0.939 284 M CA -1.365 53.936 55.300 0.002 0.000 0.890 284 M CB 1.613 34.214 32.600 0.002 0.000 1.383 284 M HN -0.184 nan 8.290 nan 0.000 0.381 285 P HA -0.165 nan 4.420 nan 0.000 0.218 285 P C 1.163 178.466 177.300 0.005 0.000 1.148 285 P CA 1.220 64.322 63.100 0.003 0.000 0.822 285 P CB 0.243 31.944 31.700 0.003 0.000 0.784 286 Q N -1.179 118.624 119.800 0.005 0.000 2.408 286 Q HA 0.040 4.381 4.340 0.001 0.000 0.205 286 Q C 0.779 176.784 176.000 0.009 0.000 0.919 286 Q CA 0.291 56.099 55.803 0.007 0.000 0.932 286 Q CB 0.038 28.780 28.738 0.007 0.000 1.058 286 Q HN 0.304 nan 8.270 nan 0.000 0.517 287 K N 1.970 122.374 120.400 0.007 0.000 2.278 287 K HA 0.073 4.394 4.320 0.001 0.000 0.289 287 K C -0.628 175.978 176.600 0.009 0.000 1.080 287 K CA 0.195 56.486 56.287 0.007 0.000 0.934 287 K CB 0.190 32.693 32.500 0.005 0.000 1.093 287 K HN -0.208 nan 8.250 nan 0.000 0.459 288 K N 3.980 124.388 120.400 0.013 0.000 2.389 288 K HA 0.206 4.526 4.320 0.001 0.000 0.261 288 K C -0.801 175.809 176.600 0.017 0.000 1.014 288 K CA -0.745 55.552 56.287 0.017 0.000 0.920 288 K CB 0.894 33.409 32.500 0.024 0.000 1.149 288 K HN 0.536 nan 8.250 nan 0.000 0.444 289 N N 4.617 123.325 118.700 0.014 0.000 2.452 289 N HA 0.050 4.790 4.740 0.001 0.000 0.266 289 N C -2.162 173.361 175.510 0.022 0.000 1.175 289 N CA -1.057 52.000 53.050 0.013 0.000 0.945 289 N CB 0.872 39.365 38.487 0.009 0.000 1.063 289 N HN 0.305 nan 8.380 nan 0.000 0.472 290 P HA 0.152 nan 4.420 nan 0.000 0.218 290 P C -0.464 176.853 177.300 0.028 0.000 1.793 290 P CA -0.202 62.915 63.100 0.028 0.000 0.941 290 P CB 0.007 31.712 31.700 0.010 0.000 1.919 291 D N 0.767 121.189 120.400 0.036 0.000 2.133 291 D HA -0.227 4.414 4.640 0.001 0.000 0.192 291 D C 2.275 178.601 176.300 0.043 0.000 1.001 291 D CA 2.359 56.379 54.000 0.034 0.000 0.844 291 D CB -0.532 40.289 40.800 0.036 0.000 0.944 291 D HN 0.289 nan 8.370 nan 0.000 0.447 292 S N 0.817 116.565 115.700 0.080 0.000 2.368 292 S HA -0.241 4.230 4.470 0.001 0.000 0.226 292 S C 2.106 176.718 174.600 0.020 0.000 1.044 292 S CA 1.063 59.313 58.200 0.083 0.000 1.062 292 S CB -1.003 62.285 63.200 0.148 0.000 0.931 292 S HN 0.291 nan 8.310 nan 0.000 0.440 293 L N 1.419 122.645 121.223 0.005 0.000 2.131 293 L HA -0.092 4.249 4.340 0.001 0.000 0.210 293 L C 2.904 179.757 176.870 -0.028 0.000 1.092 293 L CA 1.708 56.532 54.840 -0.026 0.000 0.759 293 L CB -0.682 41.357 42.059 -0.032 0.000 0.903 293 L HN 0.442 nan 8.230 nan 0.000 0.435 294 E N 0.058 120.249 120.200 -0.015 0.000 2.112 294 E HA -0.123 4.228 4.350 0.001 0.000 0.190 294 E C 2.364 178.956 176.600 -0.014 0.000 0.979 294 E CA 0.676 57.064 56.400 -0.019 0.000 0.814 294 E CB -0.017 29.675 29.700 -0.013 0.000 0.762 294 E HN 0.447 nan 8.360 nan 0.000 0.460 295 L N 0.843 122.064 121.223 -0.004 0.000 2.017 295 L HA -0.181 4.160 4.340 0.001 0.000 0.208 295 L C 2.477 179.340 176.870 -0.011 0.000 1.073 295 L CA 1.024 55.864 54.840 -0.001 0.000 0.745 295 L CB -0.407 41.660 42.059 0.013 0.000 0.894 295 L HN 0.154 nan 8.230 nan 0.000 0.432 296 I N -0.372 120.186 120.570 -0.019 0.000 2.163 296 I HA -0.337 3.833 4.170 0.001 0.000 0.243 296 I C 2.874 178.968 176.117 -0.039 0.000 1.085 296 I CA 1.375 62.655 61.300 -0.033 0.000 1.347 296 I CB -0.376 37.596 38.000 -0.048 0.000 1.044 296 I HN 0.274 nan 8.210 nan 0.000 0.408 297 R N 1.096 121.572 120.500 -0.040 0.000 2.081 297 R HA -0.175 4.166 4.340 0.001 0.000 0.235 297 R C 2.524 178.802 176.300 -0.037 0.000 1.131 297 R CA 1.971 58.044 56.100 -0.044 0.000 0.960 297 R CB -0.157 30.116 30.300 -0.047 0.000 0.856 297 R HN 0.466 nan 8.270 nan 0.000 0.436 298 S N 0.260 115.944 115.700 -0.027 0.000 2.423 298 S HA -0.039 4.432 4.470 0.001 0.000 0.231 298 S C 1.554 176.145 174.600 -0.015 0.000 1.014 298 S CA 0.602 58.791 58.200 -0.019 0.000 0.965 298 S CB 0.002 63.196 63.200 -0.011 0.000 0.785 298 S HN 0.191 nan 8.310 nan 0.000 0.495 299 K N 1.957 122.345 120.400 -0.019 0.000 2.362 299 K HA 0.250 4.570 4.320 0.001 0.000 0.200 299 K C 2.234 178.819 176.600 -0.024 0.000 1.046 299 K CA 0.985 57.261 56.287 -0.018 0.000 0.952 299 K CB -1.107 31.379 32.500 -0.023 0.000 0.753 299 K HN 0.531 nan 8.250 nan 0.000 0.466 300 A N 0.986 123.786 122.820 -0.034 0.000 1.902 300 A HA -0.086 4.234 4.320 0.001 0.000 0.217 300 A C 2.462 180.052 177.584 0.010 0.000 1.181 300 A CA 2.059 54.071 52.037 -0.041 0.000 0.623 300 A CB -0.958 18.001 19.000 -0.068 0.000 0.818 300 A HN 0.364 nan 8.150 nan 0.000 0.443 301 G N -0.958 107.856 108.800 0.024 0.000 2.403 301 G HA2 -0.182 3.779 3.960 0.001 0.000 0.216 301 G HA3 -0.182 3.779 3.960 0.001 0.000 0.216 301 G C 1.709 176.675 174.900 0.111 0.000 1.154 301 G CA 0.873 46.033 45.100 0.100 0.000 0.784 301 G HN 0.542 nan 8.290 nan 0.000 0.538 302 R N 0.016 120.542 120.500 0.043 0.000 2.080 302 R HA -0.082 4.259 4.340 0.001 0.000 0.236 302 R C 2.584 178.885 176.300 0.001 0.000 1.137 302 R CA 1.818 57.927 56.100 0.015 0.000 0.943 302 R CB -0.509 29.793 30.300 0.003 0.000 0.846 302 R HN 0.235 nan 8.270 nan 0.000 0.431 303 V N 0.867 120.779 119.914 -0.002 0.000 2.343 303 V HA -0.230 3.891 4.120 0.001 0.000 0.247 303 V C 2.054 178.138 176.094 -0.016 0.000 1.051 303 V CA 1.854 64.131 62.300 -0.038 0.000 1.036 303 V CB -0.688 31.086 31.823 -0.081 0.000 0.654 303 V HN 0.374 nan 8.190 nan 0.000 0.451 304 F N 2.216 122.102 119.950 -0.106 0.000 2.216 304 F HA 0.003 4.530 4.527 0.000 0.000 0.300 304 F C 2.091 177.844 175.800 -0.079 0.000 1.085 304 F CA 1.388 59.329 58.000 -0.098 0.000 1.326 304 F CB -0.800 38.148 39.000 -0.086 0.000 1.027 304 F HN 0.123 nan 8.300 nan 0.000 0.497 305 G N 0.709 109.387 108.800 -0.202 0.000 2.422 305 G HA2 -0.218 3.742 3.960 0.001 0.000 0.218 305 G HA3 -0.218 3.742 3.960 0.001 0.000 0.218 305 G C 1.784 176.519 174.900 -0.275 0.000 1.146 305 G CA 0.454 45.380 45.100 -0.289 0.000 0.769 305 G HN 0.194 nan 8.290 nan 0.000 0.547 306 R N -0.257 120.128 120.500 -0.193 0.000 2.090 306 R HA 0.078 4.419 4.340 0.001 0.000 0.228 306 R C 2.434 178.622 176.300 -0.187 0.000 1.110 306 R CA 0.634 56.639 56.100 -0.159 0.000 0.973 306 R CB -1.244 28.994 30.300 -0.104 0.000 0.869 306 R HN 0.455 nan 8.270 nan 0.000 0.440 307 L N 0.943 122.032 121.223 -0.223 0.000 1.994 307 L HA -0.050 4.291 4.340 0.001 0.000 0.208 307 L C 2.198 178.912 176.870 -0.260 0.000 1.071 307 L CA 2.203 56.919 54.840 -0.207 0.000 0.745 307 L CB -0.919 41.037 42.059 -0.171 0.000 0.892 307 L HN 0.150 nan 8.230 nan 0.000 0.431 308 A N -0.646 121.911 122.820 -0.439 0.000 1.908 308 A HA -0.254 4.066 4.320 0.001 0.000 0.218 308 A C 2.505 179.941 177.584 -0.247 0.000 1.181 308 A CA 2.455 54.248 52.037 -0.405 0.000 0.627 308 A CB -1.269 17.354 19.000 -0.629 0.000 0.818 308 A HN 0.720 nan 8.150 nan 0.000 0.445 309 S N -0.111 115.454 115.700 -0.226 0.000 2.368 309 S HA -0.117 4.354 4.470 0.001 0.000 0.224 309 S C 1.813 176.331 174.600 -0.136 0.000 1.029 309 S CA 1.399 59.503 58.200 -0.161 0.000 0.988 309 S CB -0.532 62.580 63.200 -0.146 0.000 0.838 309 S HN 0.335 nan 8.310 nan 0.000 0.462 310 I N 2.051 122.537 120.570 -0.139 0.000 2.315 310 I HA -0.037 4.134 4.170 0.001 0.000 0.248 310 I C 2.477 178.528 176.117 -0.111 0.000 1.117 310 I CA 0.875 62.101 61.300 -0.123 0.000 1.404 310 I CB -1.424 36.503 38.000 -0.123 0.000 1.071 310 I HN 0.330 nan 8.210 nan 0.000 0.419 311 L N -0.279 120.877 121.223 -0.111 0.000 2.046 311 L HA -0.227 4.113 4.340 0.001 0.000 0.208 311 L C 2.681 179.502 176.870 -0.081 0.000 1.077 311 L CA 1.371 56.158 54.840 -0.089 0.000 0.747 311 L CB -0.413 41.596 42.059 -0.083 0.000 0.896 311 L HN 0.230 nan 8.230 nan 0.000 0.432 312 M N -0.833 118.713 119.600 -0.091 0.000 2.175 312 M HA -0.155 4.326 4.480 0.001 0.000 0.264 312 M C 2.105 178.360 176.300 -0.075 0.000 1.063 312 M CA 1.487 56.741 55.300 -0.078 0.000 1.119 312 M CB 0.020 32.571 32.600 -0.083 0.000 1.377 312 M HN -0.039 nan 8.290 nan 0.000 0.415 313 V N 0.806 120.669 119.914 -0.085 0.000 2.343 313 V HA -0.278 3.842 4.120 0.001 0.000 0.247 313 V C 2.312 178.356 176.094 -0.082 0.000 1.051 313 V CA 1.805 64.053 62.300 -0.085 0.000 1.036 313 V CB -0.608 31.157 31.823 -0.097 0.000 0.654 313 V HN 0.551 nan 8.190 nan 0.000 0.451 314 L N -0.617 120.558 121.223 -0.082 0.000 2.156 314 L HA -0.010 4.330 4.340 0.001 0.000 0.208 314 L C 1.553 178.388 176.870 -0.058 0.000 1.095 314 L CA 0.600 55.396 54.840 -0.073 0.000 0.770 314 L CB -0.346 41.669 42.059 -0.073 0.000 0.914 314 L HN 0.181 nan 8.230 nan 0.000 0.439 315 K N 1.297 121.665 120.400 -0.053 0.000 2.453 315 K HA -0.016 4.304 4.320 0.001 0.000 0.280 315 K C 0.919 177.496 176.600 -0.039 0.000 1.045 315 K CA 1.046 57.308 56.287 -0.042 0.000 1.059 315 K CB 0.335 32.811 32.500 -0.040 0.000 0.901 315 K HN 0.329 nan 8.250 nan 0.000 0.475 316 G N 3.560 112.341 108.800 -0.032 0.000 2.179 316 G HA2 -0.269 3.691 3.960 0.001 0.000 0.260 316 G HA3 -0.269 3.691 3.960 0.001 0.000 0.260 316 G C 0.293 175.174 174.900 -0.032 0.000 0.977 316 G CA 0.285 45.368 45.100 -0.029 0.000 0.641 316 G HN 0.556 nan 8.290 nan 0.000 0.533 317 L N 2.566 123.765 121.223 -0.040 0.000 2.453 317 L HA 0.354 4.694 4.340 0.001 0.000 0.272 317 L C -0.698 176.151 176.870 -0.035 0.000 1.182 317 L CA -1.370 53.443 54.840 -0.046 0.000 0.858 317 L CB 0.340 42.360 42.059 -0.065 0.000 1.120 317 L HN 0.136 nan 8.230 nan 0.000 0.474 318 P HA 0.247 nan 4.420 nan 0.000 0.280 318 P C -0.846 176.445 177.300 -0.014 0.000 1.272 318 P CA -0.624 62.465 63.100 -0.018 0.000 0.819 318 P CB 1.145 32.837 31.700 -0.014 0.000 1.122 319 S N -0.166 115.533 115.700 -0.001 0.000 2.585 319 S HA 0.232 4.703 4.470 0.001 0.000 0.273 319 S C 1.032 175.644 174.600 0.020 0.000 1.339 319 S CA -0.109 58.098 58.200 0.011 0.000 1.028 319 S CB 0.468 63.677 63.200 0.015 0.000 0.906 319 S HN 0.529 nan 8.310 nan 0.000 0.528 320 T N 0.424 115.003 114.554 0.042 0.000 3.286 320 T HA 0.143 4.493 4.350 0.001 0.000 0.237 320 T C -0.255 174.501 174.700 0.092 0.000 0.969 320 T CA 0.184 62.322 62.100 0.062 0.000 1.298 320 T CB -0.291 68.621 68.868 0.074 0.000 1.053 320 T HN 0.607 nan 8.240 nan 0.000 0.402 321 Y N 2.649 122.949 120.300 -0.000 0.000 2.334 321 Y HA 0.553 5.103 4.550 -0.000 0.000 0.328 321 Y C -0.536 175.363 175.900 -0.001 0.000 1.130 321 Y CA -0.948 57.153 58.100 0.001 0.000 1.163 321 Y CB 0.715 39.176 38.460 0.002 0.000 1.207 321 Y HN 0.099 nan 8.280 nan 0.000 0.471 322 N N 4.128 122.340 118.700 -0.812 0.000 2.329 322 N HA 0.139 4.879 4.740 0.001 0.000 0.282 322 N C -0.175 174.880 175.510 -0.760 0.000 1.198 322 N CA -0.725 52.004 53.050 -0.536 0.000 0.790 322 N CB 2.189 40.513 38.487 -0.272 0.000 1.579 322 N HN 0.530 nan 8.380 nan 0.000 0.475 323 K N 0.849 121.043 120.400 -0.343 0.000 2.209 323 K HA -0.079 4.242 4.320 0.001 0.000 0.204 323 K C 0.455 176.950 176.600 -0.175 0.000 1.048 323 K CA 1.421 57.595 56.287 -0.188 0.000 0.940 323 K CB -0.127 32.346 32.500 -0.045 0.000 0.729 323 K HN 0.478 nan 8.250 nan 0.000 0.451 324 D N -0.118 120.172 120.400 -0.183 0.000 2.172 324 D HA -0.206 4.434 4.640 0.001 0.000 0.196 324 D C 1.323 177.540 176.300 -0.139 0.000 0.999 324 D CA 0.956 54.874 54.000 -0.137 0.000 0.856 324 D CB -0.151 40.571 40.800 -0.131 0.000 0.934 324 D HN 0.033 nan 8.370 nan 0.000 0.453 325 L N 0.772 121.875 121.223 -0.199 0.000 2.189 325 L HA -0.189 4.152 4.340 0.001 0.000 0.214 325 L C 2.123 178.949 176.870 -0.072 0.000 1.097 325 L CA 1.436 56.190 54.840 -0.145 0.000 0.764 325 L CB -0.882 41.073 42.059 -0.173 0.000 0.900 325 L HN 0.177 nan 8.230 nan 0.000 0.436 326 Q N -0.707 119.067 119.800 -0.044 0.000 2.308 326 Q HA -0.220 4.121 4.340 0.001 0.000 0.209 326 Q C 1.641 177.631 176.000 -0.016 0.000 0.985 326 Q CA 0.931 56.741 55.803 0.012 0.000 0.881 326 Q CB -0.072 28.691 28.738 0.042 0.000 0.917 326 Q HN 0.530 nan 8.270 nan 0.000 0.443 327 E N 0.934 121.098 120.200 -0.059 0.000 2.409 327 E HA -0.157 4.194 4.350 0.001 0.000 0.198 327 E C 1.359 177.881 176.600 -0.131 0.000 1.024 327 E CA 0.950 57.294 56.400 -0.093 0.000 0.861 327 E CB -0.056 29.587 29.700 -0.096 0.000 0.788 327 E HN 0.561 nan 8.360 nan 0.000 0.521 328 D N 0.989 121.315 120.400 -0.124 0.000 2.117 328 D HA -0.187 4.454 4.640 0.001 0.000 0.198 328 D C 1.548 177.707 176.300 -0.235 0.000 0.982 328 D CA 0.997 54.904 54.000 -0.155 0.000 0.828 328 D CB -0.325 40.392 40.800 -0.138 0.000 0.967 328 D HN 0.085 nan 8.370 nan 0.000 0.464 329 K N 0.556 120.784 120.400 -0.287 0.000 1.978 329 K HA -0.161 4.160 4.320 0.001 0.000 0.214 329 K C 2.376 178.450 176.600 -0.877 0.000 1.049 329 K CA 1.702 57.604 56.287 -0.643 0.000 0.939 329 K CB -0.205 32.088 32.500 -0.344 0.000 0.721 329 K HN 0.250 nan 8.250 nan 0.000 0.441 330 E N 0.417 120.266 120.200 -0.586 0.000 2.118 330 E HA -0.216 4.134 4.350 0.001 0.000 0.195 330 E C 2.066 178.517 176.600 -0.249 0.000 0.992 330 E CA 1.084 57.198 56.400 -0.477 0.000 0.804 330 E CB -0.150 29.227 29.700 -0.537 0.000 0.741 330 E HN 0.370 nan 8.360 nan 0.000 0.458 331 A N 0.847 123.539 122.820 -0.214 0.000 1.877 331 A HA -0.153 4.168 4.320 0.001 0.000 0.216 331 A C 2.508 180.086 177.584 -0.010 0.000 1.186 331 A CA 1.267 53.241 52.037 -0.105 0.000 0.620 331 A CB -0.662 18.273 19.000 -0.107 0.000 0.822 331 A HN 0.121 nan 8.150 nan 0.000 0.443 332 V N -0.723 119.169 119.914 -0.036 0.000 2.307 332 V HA -0.213 3.907 4.120 0.001 0.000 0.245 332 V C 2.378 178.680 176.094 0.347 0.000 1.045 332 V CA 1.945 64.350 62.300 0.174 0.000 1.024 332 V CB -1.024 30.857 31.823 0.097 0.000 0.651 332 V HN 0.534 nan 8.190 nan 0.000 0.449 333 F N 0.786 120.834 119.950 0.164 0.000 2.126 333 F HA -0.170 4.357 4.527 0.000 0.000 0.299 333 F C 2.345 178.240 175.800 0.158 0.000 1.096 333 F CA 1.542 59.647 58.000 0.174 0.000 1.255 333 F CB -1.253 37.779 39.000 0.053 0.000 0.997 333 F HN 0.281 nan 8.300 nan 0.000 0.479 334 D N 0.434 120.995 120.400 0.268 0.000 2.092 334 D HA -0.147 4.493 4.640 0.001 0.000 0.193 334 D C 2.267 178.666 176.300 0.165 0.000 0.994 334 D CA 1.269 55.366 54.000 0.162 0.000 0.828 334 D CB -0.216 40.624 40.800 0.068 0.000 0.963 334 D HN 0.046 nan 8.370 nan 0.000 0.450 335 V N 0.619 120.643 119.914 0.183 0.000 2.407 335 V HA -0.218 3.903 4.120 0.001 0.000 0.248 335 V C 2.737 178.992 176.094 0.268 0.000 1.055 335 V CA 1.716 64.111 62.300 0.159 0.000 1.049 335 V CB -0.615 31.252 31.823 0.074 0.000 0.662 335 V HN 0.349 nan 8.190 nan 0.000 0.455 336 V N -1.335 118.828 119.914 0.414 0.000 2.427 336 V HA -0.208 3.913 4.120 0.001 0.000 0.248 336 V C 2.051 178.292 176.094 0.244 0.000 1.051 336 V CA 2.328 64.859 62.300 0.384 0.000 1.048 336 V CB -0.905 31.126 31.823 0.346 0.000 0.666 336 V HN 0.434 nan 8.190 nan 0.000 0.456 337 D N 0.600 121.132 120.400 0.220 0.000 2.178 337 D HA -0.072 4.569 4.640 0.001 0.000 0.202 337 D C 2.281 178.644 176.300 0.105 0.000 0.974 337 D CA 1.889 55.978 54.000 0.148 0.000 0.841 337 D CB -0.322 40.561 40.800 0.138 0.000 0.953 337 D HN 0.565 nan 8.370 nan 0.000 0.478 338 T N 0.636 115.250 114.554 0.100 0.000 2.809 338 T HA 0.036 4.386 4.350 0.001 0.000 0.260 338 T C 2.201 176.927 174.700 0.043 0.000 1.039 338 T CA 0.324 62.458 62.100 0.056 0.000 1.141 338 T CB -0.141 68.748 68.868 0.035 0.000 0.869 338 T HN 0.086 nan 8.240 nan 0.000 0.437 339 L N 0.907 122.170 121.223 0.066 0.000 2.017 339 L HA -0.136 4.205 4.340 0.001 0.000 0.208 339 L C 2.925 179.837 176.870 0.070 0.000 1.073 339 L CA 1.326 56.203 54.840 0.061 0.000 0.745 339 L CB -1.305 40.821 42.059 0.113 0.000 0.894 339 L HN 0.312 nan 8.230 nan 0.000 0.432 340 T N 0.133 114.749 114.554 0.103 0.000 2.635 340 T HA -0.254 4.096 4.350 0.001 0.000 0.267 340 T C 1.974 176.627 174.700 -0.078 0.000 1.040 340 T CA 1.658 63.799 62.100 0.067 0.000 1.156 340 T CB -0.304 68.631 68.868 0.112 0.000 0.863 340 T HN 0.480 nan 8.240 nan 0.000 0.430 341 A N 0.785 123.589 122.820 -0.027 0.000 1.855 341 A HA -0.015 4.306 4.320 0.001 0.000 0.215 341 A C 2.625 180.181 177.584 -0.048 0.000 1.191 341 A CA 1.354 53.368 52.037 -0.039 0.000 0.613 341 A CB -1.041 17.960 19.000 0.002 0.000 0.829 341 A HN 0.337 nan 8.150 nan 0.000 0.442 342 V N 0.252 120.149 119.914 -0.029 0.000 2.332 342 V HA -0.264 3.856 4.120 0.001 0.000 0.248 342 V C 2.570 178.630 176.094 -0.057 0.000 1.055 342 V CA 1.965 64.243 62.300 -0.037 0.000 1.038 342 V CB -0.750 31.055 31.823 -0.031 0.000 0.651 342 V HN 0.549 nan 8.190 nan 0.000 0.450 343 L N -0.792 120.400 121.223 -0.052 0.000 2.056 343 L HA -0.214 4.126 4.340 0.001 0.000 0.207 343 L C 2.694 179.509 176.870 -0.092 0.000 1.078 343 L CA 1.570 56.385 54.840 -0.042 0.000 0.749 343 L CB -0.552 41.526 42.059 0.033 0.000 0.901 343 L HN 0.375 nan 8.230 nan 0.000 0.433 344 Q N -0.656 119.041 119.800 -0.171 0.000 2.050 344 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 344 Q C 2.363 178.294 176.000 -0.114 0.000 0.980 344 Q CA 1.509 57.208 55.803 -0.174 0.000 0.840 344 Q CB -0.188 28.411 28.738 -0.232 0.000 0.898 344 Q HN 0.335 nan 8.270 nan 0.000 0.424 345 V N 1.036 120.893 119.914 -0.096 0.000 2.343 345 V HA -0.289 3.832 4.120 0.001 0.000 0.247 345 V C 2.289 178.210 176.094 -0.289 0.000 1.051 345 V CA 1.819 64.039 62.300 -0.134 0.000 1.036 345 V CB -0.975 30.831 31.823 -0.029 0.000 0.654 345 V HN 0.403 nan 8.190 nan 0.000 0.451 346 A N -0.355 122.355 122.820 -0.184 0.000 1.940 346 A HA -0.249 4.072 4.320 0.001 0.000 0.219 346 A C 2.394 179.859 177.584 -0.198 0.000 1.176 346 A CA 2.591 54.521 52.037 -0.179 0.000 0.631 346 A CB -0.959 17.974 19.000 -0.110 0.000 0.814 346 A HN 0.517 nan 8.150 nan 0.000 0.446 347 T N -0.320 114.138 114.554 -0.160 0.000 2.708 347 T HA -0.036 4.314 4.350 0.001 0.000 0.266 347 T C 2.000 176.592 174.700 -0.180 0.000 1.037 347 T CA 1.476 63.506 62.100 -0.118 0.000 1.146 347 T CB -0.693 68.144 68.868 -0.051 0.000 0.865 347 T HN 0.592 nan 8.240 nan 0.000 0.435 348 G N 1.112 109.726 108.800 -0.310 0.000 2.440 348 G HA2 -0.183 3.778 3.960 0.001 0.000 0.218 348 G HA3 -0.183 3.778 3.960 0.001 0.000 0.218 348 G C 1.712 176.199 174.900 -0.687 0.000 1.154 348 G CA 0.954 45.779 45.100 -0.458 0.000 0.767 348 G HN 0.430 nan 8.290 nan 0.000 0.552 349 V N 1.587 120.970 119.914 -0.885 0.000 2.261 349 V HA -0.162 3.958 4.120 0.001 0.000 0.246 349 V C 2.812 178.809 176.094 -0.162 0.000 1.047 349 V CA 1.295 63.294 62.300 -0.501 0.000 1.015 349 V CB -0.381 31.227 31.823 -0.357 0.000 0.642 349 V HN 0.272 nan 8.190 nan 0.000 0.446 350 I N 1.315 121.806 120.570 -0.131 0.000 2.208 350 I HA -0.200 3.970 4.170 0.001 0.000 0.245 350 I C 2.711 178.843 176.117 0.024 0.000 1.097 350 I CA 2.287 63.573 61.300 -0.023 0.000 1.363 350 I CB -1.446 36.531 38.000 -0.039 0.000 1.051 350 I HN 0.550 nan 8.210 nan 0.000 0.413 351 S N 0.220 115.919 115.700 -0.002 0.000 2.387 351 S HA -0.116 4.355 4.470 0.001 0.000 0.226 351 S C 1.765 176.414 174.600 0.081 0.000 1.026 351 S CA 1.399 59.625 58.200 0.044 0.000 0.972 351 S CB -1.024 62.198 63.200 0.037 0.000 0.814 351 S HN 0.594 nan 8.310 nan 0.000 0.477 352 T N -0.290 114.322 114.554 0.098 0.000 3.122 352 T HA 0.394 4.745 4.350 0.001 0.000 0.250 352 T C 0.388 175.170 174.700 0.137 0.000 1.067 352 T CA -0.563 61.623 62.100 0.142 0.000 0.966 352 T CB -0.622 68.387 68.868 0.235 0.000 1.002 352 T HN 0.471 nan 8.240 nan 0.000 0.542 353 L N 1.816 123.113 121.223 0.124 0.000 2.380 353 L HA 0.450 4.791 4.340 0.001 0.000 0.273 353 L C -0.825 176.118 176.870 0.122 0.000 1.138 353 L CA -0.563 54.356 54.840 0.131 0.000 0.832 353 L CB 0.775 42.924 42.059 0.150 0.000 1.124 353 L HN 0.111 nan 8.230 nan 0.000 0.454 354 Q N 5.902 125.758 119.800 0.093 0.000 2.325 354 Q HA 0.476 4.817 4.340 0.001 0.000 0.262 354 Q C -0.487 175.523 176.000 0.018 0.000 0.968 354 Q CA -0.285 55.554 55.803 0.059 0.000 0.877 354 Q CB 2.043 30.808 28.738 0.045 0.000 1.253 354 Q HN 0.691 nan 8.270 nan 0.000 0.448 355 I N -1.658 118.891 120.570 -0.035 0.000 2.577 355 I HA 0.620 4.791 4.170 0.001 0.000 0.300 355 I C -0.187 175.839 176.117 -0.152 0.000 0.990 355 I CA -0.546 60.648 61.300 -0.176 0.000 1.283 355 I CB 1.888 39.627 38.000 -0.435 0.000 1.411 355 I HN 0.403 nan 8.210 nan 0.000 0.515 356 S N 3.346 118.942 115.700 -0.174 0.000 2.528 356 S HA 0.356 4.826 4.470 0.001 0.000 0.303 356 S C 0.656 175.147 174.600 -0.181 0.000 1.123 356 S CA -0.756 57.373 58.200 -0.118 0.000 1.138 356 S CB 0.575 63.750 63.200 -0.043 0.000 0.984 356 S HN 0.773 nan 8.310 nan 0.000 0.474 357 K N 2.698 122.997 120.400 -0.169 0.000 2.147 357 K HA -0.064 4.256 4.320 0.001 0.000 0.205 357 K C 2.463 178.980 176.600 -0.138 0.000 1.049 357 K CA 1.765 57.946 56.287 -0.177 0.000 0.936 357 K CB -0.215 32.217 32.500 -0.113 0.000 0.722 357 K HN 0.747 nan 8.250 nan 0.000 0.446 358 E N 1.843 121.989 120.200 -0.089 0.000 2.017 358 E HA -0.223 4.127 4.350 0.001 0.000 0.193 358 E C 1.724 178.291 176.600 -0.056 0.000 0.997 358 E CA 1.878 58.243 56.400 -0.058 0.000 0.804 358 E CB -0.938 28.742 29.700 -0.033 0.000 0.757 358 E HN 0.358 nan 8.360 nan 0.000 0.448 359 N N -0.116 118.564 118.700 -0.034 0.000 2.223 359 N HA -0.045 4.695 4.740 0.001 0.000 0.185 359 N C 1.922 177.427 175.510 -0.009 0.000 1.016 359 N CA 1.573 54.644 53.050 0.034 0.000 0.863 359 N CB -0.254 38.309 38.487 0.126 0.000 0.983 359 N HN 0.482 nan 8.380 nan 0.000 0.429 360 M N 0.630 120.098 119.600 -0.221 0.000 2.099 360 M HA -0.169 4.312 4.480 0.001 0.000 0.262 360 M C 2.121 178.208 176.300 -0.355 0.000 1.067 360 M CA 1.526 56.504 55.300 -0.537 0.000 1.124 360 M CB -0.272 31.944 32.600 -0.639 0.000 1.353 360 M HN 0.260 nan 8.290 nan 0.000 0.410 361 E N 0.297 120.361 120.200 -0.227 0.000 2.072 361 E HA -0.227 4.124 4.350 0.001 0.000 0.190 361 E C 1.869 178.386 176.600 -0.138 0.000 0.982 361 E CA 1.174 57.470 56.400 -0.172 0.000 0.803 361 E CB -0.450 29.198 29.700 -0.087 0.000 0.755 361 E HN 0.374 nan 8.360 nan 0.000 0.453 362 K N 0.645 120.995 120.400 -0.084 0.000 2.360 362 K HA -0.055 4.265 4.320 0.001 0.000 0.201 362 K C 1.846 178.416 176.600 -0.051 0.000 1.046 362 K CA 0.974 57.236 56.287 -0.042 0.000 0.945 362 K CB -0.126 32.363 32.500 -0.018 0.000 0.750 362 K HN 0.263 nan 8.250 nan 0.000 0.464 363 A N 0.244 123.019 122.820 -0.075 0.000 2.208 363 A HA 0.083 4.404 4.320 0.001 0.000 0.209 363 A C 0.110 177.600 177.584 -0.157 0.000 1.161 363 A CA 0.084 52.090 52.037 -0.052 0.000 0.782 363 A CB 0.086 19.136 19.000 0.083 0.000 0.816 363 A HN 0.104 nan 8.150 nan 0.000 0.477 364 L N 2.419 123.467 121.223 -0.292 0.000 2.385 364 L HA 0.224 4.565 4.340 0.001 0.000 0.281 364 L C 0.762 177.467 176.870 -0.275 0.000 1.106 364 L CA 0.601 55.105 54.840 -0.560 0.000 0.856 364 L CB -0.271 41.017 42.059 -1.285 0.000 1.186 364 L HN 0.373 nan 8.230 nan 0.000 0.453 365 T N 1.310 115.803 114.554 -0.101 0.000 2.902 365 T HA 0.440 4.791 4.350 0.001 0.000 0.283 365 T C -1.817 173.059 174.700 0.293 0.000 1.009 365 T CA -1.938 60.227 62.100 0.108 0.000 1.051 365 T CB 1.752 70.650 68.868 0.049 0.000 0.999 365 T HN 0.269 nan 8.240 nan 0.000 0.474 366 P HA -0.076 nan 4.420 nan 0.000 0.218 366 P C 1.134 178.554 177.300 0.200 0.000 1.148 366 P CA 0.889 64.134 63.100 0.241 0.000 0.822 366 P CB 0.074 31.836 31.700 0.104 0.000 0.784 367 E N -0.988 119.297 120.200 0.142 0.000 2.160 367 E HA -0.162 4.189 4.350 0.001 0.000 0.195 367 E C 1.794 178.471 176.600 0.129 0.000 0.991 367 E CA 1.256 57.722 56.400 0.111 0.000 0.810 367 E CB -0.922 28.823 29.700 0.075 0.000 0.742 367 E HN 0.312 nan 8.360 nan 0.000 0.466 368 M N -0.232 119.460 119.600 0.154 0.000 2.539 368 M HA -0.085 4.396 4.480 0.001 0.000 0.261 368 M C 1.284 177.696 176.300 0.186 0.000 1.069 368 M CA 0.934 56.324 55.300 0.151 0.000 1.081 368 M CB -0.028 32.648 32.600 0.126 0.000 1.412 368 M HN 0.098 nan 8.290 nan 0.000 0.482 369 L N -0.943 120.404 121.223 0.208 0.000 2.567 369 L HA 0.130 4.471 4.340 0.001 0.000 0.225 369 L C 2.645 179.566 176.870 0.084 0.000 1.119 369 L CA -0.145 54.780 54.840 0.140 0.000 0.871 369 L CB -0.657 41.482 42.059 0.133 0.000 1.036 369 L HN 0.234 nan 8.230 nan 0.000 0.459 370 A N 1.084 123.972 122.820 0.113 0.000 1.903 370 A HA -0.290 4.030 4.320 0.001 0.000 0.219 370 A C 2.494 180.115 177.584 0.062 0.000 1.191 370 A CA 2.733 54.821 52.037 0.085 0.000 0.638 370 A CB -1.037 18.004 19.000 0.068 0.000 0.823 370 A HN 0.511 nan 8.150 nan 0.000 0.451 371 T N -1.891 112.714 114.554 0.085 0.000 2.746 371 T HA -0.186 4.165 4.350 0.001 0.000 0.267 371 T C 1.379 176.143 174.700 0.106 0.000 1.039 371 T CA 1.618 63.787 62.100 0.115 0.000 1.142 371 T CB -0.635 68.326 68.868 0.156 0.000 0.866 371 T HN 0.406 nan 8.240 nan 0.000 0.444 372 D N 1.270 121.710 120.400 0.066 0.000 2.149 372 D HA -0.016 4.625 4.640 0.001 0.000 0.198 372 D C 1.972 178.279 176.300 0.013 0.000 0.990 372 D CA 0.527 54.538 54.000 0.019 0.000 0.839 372 D CB -0.616 40.152 40.800 -0.053 0.000 0.948 372 D HN 0.258 nan 8.370 nan 0.000 0.460 373 L N 0.561 121.771 121.223 -0.021 0.000 2.127 373 L HA -0.149 4.192 4.340 0.001 0.000 0.211 373 L C 2.045 179.027 176.870 0.187 0.000 1.089 373 L CA 1.586 56.450 54.840 0.040 0.000 0.757 373 L CB -0.500 41.599 42.059 0.067 0.000 0.899 373 L HN -0.002 nan 8.230 nan 0.000 0.434 374 A N -1.372 121.529 122.820 0.135 0.000 1.898 374 A HA -0.063 4.258 4.320 0.001 0.000 0.214 374 A C 2.065 179.741 177.584 0.153 0.000 1.183 374 A CA 1.091 53.208 52.037 0.132 0.000 0.622 374 A CB -0.646 18.423 19.000 0.115 0.000 0.824 374 A HN 0.327 nan 8.150 nan 0.000 0.444 375 L N -1.105 120.209 121.223 0.150 0.000 2.081 375 L HA -0.215 4.125 4.340 0.001 0.000 0.212 375 L C 2.402 179.326 176.870 0.090 0.000 1.080 375 L CA 2.258 57.166 54.840 0.114 0.000 0.754 375 L CB -1.612 40.487 42.059 0.066 0.000 0.893 375 L HN 0.687 nan 8.230 nan 0.000 0.433 376 Y N 0.434 120.723 120.300 -0.018 0.000 2.070 376 Y HA -0.258 4.292 4.550 0.001 0.000 0.280 376 Y C 2.569 178.428 175.900 -0.069 0.000 1.148 376 Y CA 1.693 59.770 58.100 -0.037 0.000 1.125 376 Y CB -0.346 38.107 38.460 -0.012 0.000 0.975 376 Y HN 0.037 nan 8.280 nan 0.000 0.492 377 L N -0.833 120.379 121.223 -0.018 0.000 2.083 377 L HA -0.227 4.114 4.340 0.001 0.000 0.209 377 L C 2.400 179.171 176.870 -0.165 0.000 1.083 377 L CA 1.077 55.789 54.840 -0.213 0.000 0.752 377 L CB -0.767 41.189 42.059 -0.172 0.000 0.899 377 L HN 0.197 nan 8.230 nan 0.000 0.433 378 V N 0.033 119.915 119.914 -0.054 0.000 2.287 378 V HA -0.313 3.807 4.120 0.001 0.000 0.248 378 V C 2.607 178.658 176.094 -0.071 0.000 1.053 378 V CA 1.848 64.142 62.300 -0.010 0.000 1.027 378 V CB -0.606 31.262 31.823 0.075 0.000 0.646 378 V HN 0.443 nan 8.190 nan 0.000 0.447 379 R N 0.034 120.464 120.500 -0.116 0.000 2.152 379 R HA -0.093 4.247 4.340 0.001 0.000 0.232 379 R C 1.666 177.854 176.300 -0.187 0.000 1.117 379 R CA 0.748 56.763 56.100 -0.142 0.000 0.981 379 R CB -0.206 30.000 30.300 -0.157 0.000 0.870 379 R HN 0.340 nan 8.270 nan 0.000 0.451 380 K N -0.042 120.198 120.400 -0.268 0.000 2.546 380 K HA 0.094 4.414 4.320 0.001 0.000 0.198 380 K C 0.876 177.380 176.600 -0.159 0.000 1.028 380 K CA 0.611 56.744 56.287 -0.256 0.000 1.150 380 K CB 0.443 32.719 32.500 -0.374 0.000 0.876 380 K HN 0.437 nan 8.250 nan 0.000 0.508 381 G N 0.579 109.309 108.800 -0.116 0.000 2.184 381 G HA2 -0.265 3.696 3.960 0.001 0.000 0.264 381 G HA3 -0.265 3.696 3.960 0.001 0.000 0.264 381 G C 0.244 175.108 174.900 -0.059 0.000 0.975 381 G CA 0.248 45.304 45.100 -0.073 0.000 0.642 381 G HN 0.178 nan 8.290 nan 0.000 0.536 382 V N 2.266 122.133 119.914 -0.078 0.000 2.479 382 V HA 0.310 4.431 4.120 0.001 0.000 0.281 382 V C -1.205 174.883 176.094 -0.009 0.000 1.031 382 V CA -1.013 61.251 62.300 -0.060 0.000 1.038 382 V CB 1.007 32.769 31.823 -0.102 0.000 0.981 382 V HN 0.125 nan 8.190 nan 0.000 0.478 383 P HA -0.029 nan 4.420 nan 0.000 0.264 383 P C 0.602 177.956 177.300 0.089 0.000 1.183 383 P CA 0.033 63.165 63.100 0.054 0.000 0.763 383 P CB 0.330 32.051 31.700 0.035 0.000 0.807 384 F N 5.342 125.297 119.950 0.009 0.000 2.039 384 F HA -0.345 4.183 4.527 0.002 0.000 0.296 384 F C 2.247 178.083 175.800 0.060 0.000 1.119 384 F CA 2.069 60.088 58.000 0.031 0.000 1.211 384 F CB -0.410 38.602 39.000 0.020 0.000 0.956 384 F HN 0.299 nan 8.300 nan 0.000 0.496 385 R N 0.138 120.521 120.500 -0.196 0.000 2.105 385 R HA -0.197 4.144 4.340 0.001 0.000 0.239 385 R C 1.809 178.022 176.300 -0.146 0.000 1.135 385 R CA 1.697 57.636 56.100 -0.268 0.000 0.967 385 R CB -1.418 28.829 30.300 -0.088 0.000 0.861 385 R HN 0.357 nan 8.270 nan 0.000 0.442 386 Q N 1.076 120.831 119.800 -0.075 0.000 2.119 386 Q HA 0.109 4.450 4.340 0.001 0.000 0.201 386 Q C 2.247 178.217 176.000 -0.050 0.000 0.972 386 Q CA 2.260 58.039 55.803 -0.042 0.000 0.847 386 Q CB -0.383 28.340 28.738 -0.025 0.000 0.903 386 Q HN 0.546 nan 8.270 nan 0.000 0.433 387 A N -0.874 121.903 122.820 -0.072 0.000 1.969 387 A HA -0.195 4.126 4.320 0.001 0.000 0.218 387 A C 1.827 179.376 177.584 -0.059 0.000 1.169 387 A CA 1.688 53.693 52.037 -0.054 0.000 0.635 387 A CB -0.623 18.370 19.000 -0.013 0.000 0.810 387 A HN 0.520 nan 8.150 nan 0.000 0.445 388 H N -0.623 118.279 119.070 -0.281 0.000 2.403 388 H HA -0.033 4.524 4.556 0.001 0.000 0.298 388 H C 2.125 177.382 175.328 -0.118 0.000 1.059 388 H CA 2.037 57.922 56.048 -0.273 0.000 1.363 388 H CB 0.044 29.473 29.762 -0.556 0.000 1.410 388 H HN 0.381 nan 8.280 nan 0.000 0.528 389 T N 0.113 114.683 114.554 0.026 0.000 2.777 389 T HA -0.118 4.233 4.350 0.001 0.000 0.266 389 T C 2.228 176.943 174.700 0.024 0.000 1.040 389 T CA 1.095 63.216 62.100 0.035 0.000 1.141 389 T CB -0.605 68.284 68.868 0.035 0.000 0.868 389 T HN 0.524 nan 8.240 nan 0.000 0.444 390 A N 1.683 124.526 122.820 0.038 0.000 1.908 390 A HA -0.131 4.190 4.320 0.001 0.000 0.218 390 A C 2.571 180.235 177.584 0.134 0.000 1.181 390 A CA 2.084 54.187 52.037 0.110 0.000 0.627 390 A CB -0.877 18.203 19.000 0.132 0.000 0.818 390 A HN 0.478 nan 8.150 nan 0.000 0.445 391 S N -0.377 115.368 115.700 0.074 0.000 2.423 391 S HA -0.016 4.454 4.470 0.001 0.000 0.231 391 S C 1.981 176.577 174.600 -0.007 0.000 1.014 391 S CA 0.922 59.153 58.200 0.051 0.000 0.965 391 S CB -0.522 62.667 63.200 -0.019 0.000 0.785 391 S HN 0.767 nan 8.310 nan 0.000 0.495 392 G N 2.104 110.872 108.800 -0.053 0.000 2.403 392 G HA2 -0.127 3.833 3.960 0.001 0.000 0.216 392 G HA3 -0.127 3.833 3.960 0.001 0.000 0.216 392 G C 1.499 176.437 174.900 0.062 0.000 1.154 392 G CA 0.415 45.502 45.100 -0.022 0.000 0.784 392 G HN 0.287 nan 8.290 nan 0.000 0.538 393 K N 1.042 121.486 120.400 0.073 0.000 2.097 393 K HA 0.130 4.450 4.320 0.001 0.000 0.205 393 K C 2.829 179.462 176.600 0.055 0.000 1.050 393 K CA 1.056 57.402 56.287 0.098 0.000 0.938 393 K CB -0.692 31.859 32.500 0.085 0.000 0.718 393 K HN 0.251 nan 8.250 nan 0.000 0.442 394 A N 1.598 124.444 122.820 0.042 0.000 1.858 394 A HA -0.146 4.174 4.320 0.001 0.000 0.216 394 A C 2.446 180.023 177.584 -0.011 0.000 1.190 394 A CA 2.242 54.273 52.037 -0.010 0.000 0.617 394 A CB -0.952 18.040 19.000 -0.013 0.000 0.827 394 A HN 0.144 nan 8.150 nan 0.000 0.443 395 V N -2.090 117.840 119.914 0.028 0.000 2.343 395 V HA -0.268 3.853 4.120 0.001 0.000 0.247 395 V C 2.428 178.564 176.094 0.069 0.000 1.051 395 V CA 2.800 65.122 62.300 0.037 0.000 1.036 395 V CB -1.443 30.407 31.823 0.045 0.000 0.654 395 V HN 0.722 nan 8.190 nan 0.000 0.451 396 H N 0.562 119.626 119.070 -0.011 0.000 2.387 396 H HA -0.092 4.464 4.556 0.001 0.000 0.299 396 H C 1.880 177.198 175.328 -0.015 0.000 1.090 396 H CA 2.326 58.368 56.048 -0.009 0.000 1.332 396 H CB -0.368 29.393 29.762 -0.003 0.000 1.386 396 H HN 0.429 nan 8.280 nan 0.000 0.516 397 L N 0.591 121.677 121.223 -0.228 0.000 1.976 397 L HA -0.018 4.322 4.340 0.001 0.000 0.209 397 L C 2.620 179.387 176.870 -0.172 0.000 1.071 397 L CA 2.167 56.837 54.840 -0.284 0.000 0.746 397 L CB -1.456 40.498 42.059 -0.175 0.000 0.890 397 L HN 0.359 nan 8.230 nan 0.000 0.432 398 A N -0.909 121.846 122.820 -0.109 0.000 1.948 398 A HA -0.317 4.003 4.320 0.001 0.000 0.220 398 A C 2.308 179.856 177.584 -0.061 0.000 1.177 398 A CA 2.071 54.055 52.037 -0.089 0.000 0.636 398 A CB -0.829 18.122 19.000 -0.082 0.000 0.815 398 A HN 0.669 nan 8.150 nan 0.000 0.449 399 E N -0.205 119.978 120.200 -0.028 0.000 2.031 399 E HA -0.189 4.162 4.350 0.001 0.000 0.193 399 E C 1.812 178.411 176.600 -0.002 0.000 0.994 399 E CA 1.915 58.325 56.400 0.016 0.000 0.800 399 E CB -0.284 29.479 29.700 0.103 0.000 0.752 399 E HN 0.672 nan 8.360 nan 0.000 0.447 400 T N -1.175 113.352 114.554 -0.044 0.000 3.155 400 T HA 0.007 4.357 4.350 0.001 0.000 0.264 400 T C 1.033 175.695 174.700 -0.063 0.000 1.160 400 T CA 0.595 62.661 62.100 -0.056 0.000 1.075 400 T CB -0.109 68.675 68.868 -0.141 0.000 0.921 400 T HN 0.122 nan 8.240 nan 0.000 0.533 401 K N 0.394 120.755 120.400 -0.064 0.000 2.501 401 K HA 0.411 4.732 4.320 0.001 0.000 0.204 401 K C 1.005 177.576 176.600 -0.049 0.000 1.067 401 K CA -0.185 56.065 56.287 -0.061 0.000 1.060 401 K CB 0.851 33.304 32.500 -0.078 0.000 0.873 401 K HN 0.251 nan 8.250 nan 0.000 0.540 402 G N 2.396 111.174 108.800 -0.037 0.000 2.393 402 G HA2 -0.268 3.693 3.960 0.001 0.000 0.299 402 G HA3 -0.268 3.693 3.960 0.001 0.000 0.299 402 G C -0.267 174.609 174.900 -0.040 0.000 0.990 402 G CA 0.537 45.619 45.100 -0.030 0.000 1.118 402 G HN 0.286 nan 8.290 nan 0.000 0.513 403 I N -0.481 120.059 120.570 -0.050 0.000 3.095 403 I HA 0.686 4.857 4.170 0.001 0.000 0.310 403 I C 0.624 176.698 176.117 -0.070 0.000 1.196 403 I CA -0.276 60.984 61.300 -0.065 0.000 0.985 403 I CB 2.046 39.995 38.000 -0.085 0.000 1.250 403 I HN 0.315 nan 8.210 nan 0.000 0.446 404 T N 3.008 117.510 114.554 -0.086 0.000 2.897 404 T HA 0.328 4.678 4.350 0.001 0.000 0.294 404 T C 1.796 176.403 174.700 -0.155 0.000 1.004 404 T CA -0.085 61.960 62.100 -0.091 0.000 1.106 404 T CB 0.480 69.299 68.868 -0.083 0.000 0.949 404 T HN 0.625 nan 8.240 nan 0.000 0.520 405 I N 0.740 121.230 120.570 -0.133 0.000 2.248 405 I HA -0.258 3.913 4.170 0.001 0.000 0.248 405 I C 2.131 177.933 176.117 -0.526 0.000 1.107 405 I CA 1.778 62.963 61.300 -0.192 0.000 1.373 405 I CB -0.827 37.164 38.000 -0.015 0.000 1.055 405 I HN 0.715 nan 8.210 nan 0.000 0.418 406 N N 2.218 120.512 118.700 -0.676 0.000 2.520 406 N HA -0.196 4.544 4.740 0.001 0.000 0.185 406 N C 1.175 176.241 175.510 -0.740 0.000 1.068 406 N CA 1.078 53.391 53.050 -1.228 0.000 0.911 406 N CB -0.412 37.652 38.487 -0.704 0.000 0.961 406 N HN 0.586 nan 8.380 nan 0.000 0.446 407 K N 0.303 120.436 120.400 -0.444 0.000 2.397 407 K HA 0.295 4.615 4.320 0.001 0.000 0.202 407 K C -0.007 176.439 176.600 -0.257 0.000 1.022 407 K CA -0.245 55.866 56.287 -0.294 0.000 1.141 407 K CB 0.484 32.867 32.500 -0.195 0.000 0.857 407 K HN 0.140 nan 8.250 nan 0.000 0.514 408 L N 2.339 123.374 121.223 -0.313 0.000 2.367 408 L HA 0.070 4.410 4.340 0.001 0.000 0.275 408 L C 0.789 177.527 176.870 -0.220 0.000 1.129 408 L CA -0.347 54.348 54.840 -0.242 0.000 0.839 408 L CB 0.974 42.880 42.059 -0.255 0.000 1.133 408 L HN 0.164 nan 8.230 nan 0.000 0.453 409 S N 3.261 118.865 115.700 -0.161 0.000 2.593 409 S HA 0.070 4.541 4.470 0.001 0.000 0.269 409 S C 1.109 175.635 174.600 -0.123 0.000 1.334 409 S CA -0.780 57.344 58.200 -0.126 0.000 1.015 409 S CB 1.116 64.262 63.200 -0.091 0.000 0.912 409 S HN 0.665 nan 8.310 nan 0.000 0.541 410 L N 0.621 121.792 121.223 -0.086 0.000 2.042 410 L HA -0.108 4.233 4.340 0.001 0.000 0.210 410 L C 2.202 179.051 176.870 -0.036 0.000 1.076 410 L CA 2.085 56.891 54.840 -0.057 0.000 0.749 410 L CB -1.353 40.696 42.059 -0.016 0.000 0.893 410 L HN 0.760 nan 8.230 nan 0.000 0.432 411 E N 0.099 120.279 120.200 -0.032 0.000 2.110 411 E HA -0.199 4.151 4.350 0.001 0.000 0.193 411 E C 1.873 178.458 176.600 -0.025 0.000 0.988 411 E CA 1.119 57.509 56.400 -0.015 0.000 0.804 411 E CB -0.326 29.363 29.700 -0.018 0.000 0.745 411 E HN 0.569 nan 8.360 nan 0.000 0.458 412 D N 0.498 120.862 120.400 -0.060 0.000 2.097 412 D HA -0.129 4.512 4.640 0.001 0.000 0.195 412 D C 2.086 178.339 176.300 -0.078 0.000 0.989 412 D CA 0.677 54.633 54.000 -0.074 0.000 0.827 412 D CB -0.082 40.652 40.800 -0.109 0.000 0.966 412 D HN 0.064 nan 8.370 nan 0.000 0.456 413 L N 1.316 122.451 121.223 -0.148 0.000 2.012 413 L HA -0.158 4.183 4.340 0.001 0.000 0.210 413 L C 2.306 179.242 176.870 0.109 0.000 1.073 413 L CA 1.597 56.284 54.840 -0.254 0.000 0.748 413 L CB -0.548 41.165 42.059 -0.576 0.000 0.891 413 L HN -0.050 nan 8.230 nan 0.000 0.431 414 K N -1.380 119.094 120.400 0.124 0.000 2.209 414 K HA -0.131 4.190 4.320 0.001 0.000 0.204 414 K C 2.282 178.956 176.600 0.123 0.000 1.048 414 K CA 1.283 57.673 56.287 0.172 0.000 0.940 414 K CB -0.243 32.323 32.500 0.109 0.000 0.729 414 K HN 0.193 nan 8.250 nan 0.000 0.451 415 S N 0.525 116.268 115.700 0.072 0.000 2.507 415 S HA -0.009 4.462 4.470 0.001 0.000 0.235 415 S C 1.620 176.261 174.600 0.069 0.000 0.988 415 S CA 0.635 58.865 58.200 0.049 0.000 0.944 415 S CB -0.026 63.182 63.200 0.014 0.000 0.762 415 S HN 0.184 nan 8.310 nan 0.000 0.526 416 I N -0.825 119.817 120.570 0.119 0.000 2.685 416 I HA 0.193 4.364 4.170 0.001 0.000 0.251 416 I C 0.729 176.953 176.117 0.178 0.000 1.102 416 I CA 0.153 61.543 61.300 0.151 0.000 1.442 416 I CB 0.217 38.335 38.000 0.196 0.000 1.194 416 I HN 0.173 nan 8.210 nan 0.000 0.448 417 S N -0.220 115.644 115.700 0.274 0.000 2.619 417 S HA 0.374 4.845 4.470 0.001 0.000 0.280 417 S C -2.230 172.457 174.600 0.145 0.000 1.150 417 S CA -1.301 56.983 58.200 0.139 0.000 0.978 417 S CB 1.635 64.818 63.200 -0.028 0.000 1.041 417 S HN -0.214 nan 8.310 nan 0.000 0.485 418 P HA -0.069 nan 4.420 nan 0.000 0.219 418 P C 0.809 178.145 177.300 0.060 0.000 1.146 418 P CA 1.001 64.142 63.100 0.068 0.000 0.808 418 P CB 0.152 31.871 31.700 0.032 0.000 0.779 419 Q N -2.043 117.745 119.800 -0.021 0.000 2.541 419 Q HA -0.003 4.337 4.340 0.001 0.000 0.215 419 Q C 0.027 176.039 176.000 0.020 0.000 0.977 419 Q CA 0.507 56.269 55.803 -0.068 0.000 0.934 419 Q CB -0.814 27.816 28.738 -0.180 0.000 0.988 419 Q HN 0.247 nan 8.270 nan 0.000 0.521 420 F N 0.087 120.144 119.950 0.178 0.000 2.444 420 F HA 0.255 4.783 4.527 0.001 0.000 0.360 420 F C 0.801 176.704 175.800 0.171 0.000 1.106 420 F CA -0.351 57.794 58.000 0.242 0.000 1.170 420 F CB 0.750 39.822 39.000 0.120 0.000 1.113 420 F HN -0.216 nan 8.300 nan 0.000 0.521 421 S N 1.062 117.025 115.700 0.440 0.000 2.798 421 S HA 0.371 4.841 4.470 0.001 0.000 0.312 421 S C 1.122 175.840 174.600 0.197 0.000 1.122 421 S CA -0.059 58.294 58.200 0.255 0.000 0.949 421 S CB 1.065 64.389 63.200 0.207 0.000 1.235 421 S HN 0.587 nan 8.310 nan 0.000 0.552 422 S N 1.138 116.914 115.700 0.126 0.000 2.419 422 S HA -0.157 4.314 4.470 0.001 0.000 0.235 422 S C 1.208 175.859 174.600 0.085 0.000 1.019 422 S CA 1.565 59.814 58.200 0.082 0.000 0.982 422 S CB -0.861 62.374 63.200 0.057 0.000 0.789 422 S HN 0.855 nan 8.310 nan 0.000 0.490 423 D N 1.498 121.977 120.400 0.131 0.000 2.378 423 D HA -0.011 4.629 4.640 0.001 0.000 0.222 423 D C 1.612 177.980 176.300 0.113 0.000 0.980 423 D CA 0.395 54.477 54.000 0.138 0.000 0.907 423 D CB -0.676 40.231 40.800 0.177 0.000 0.899 423 D HN 0.386 nan 8.370 nan 0.000 0.527 424 V N 1.088 121.010 119.914 0.014 0.000 3.078 424 V HA -0.216 3.905 4.120 0.001 0.000 0.265 424 V C 2.197 178.210 176.094 -0.134 0.000 1.122 424 V CA 1.850 63.941 62.300 -0.348 0.000 1.141 424 V CB -0.712 30.840 31.823 -0.451 0.000 0.735 424 V HN 0.400 nan 8.190 nan 0.000 0.498 425 S N -0.691 115.018 115.700 0.016 0.000 2.368 425 S HA -0.253 4.217 4.470 0.001 0.000 0.225 425 S C 1.829 176.462 174.600 0.054 0.000 1.030 425 S CA 1.108 59.369 58.200 0.101 0.000 0.999 425 S CB -0.510 62.721 63.200 0.052 0.000 0.844 425 S HN 0.633 nan 8.310 nan 0.000 0.459 426 Q N 1.103 120.900 119.800 -0.005 0.000 2.197 426 Q HA -0.034 4.306 4.340 0.001 0.000 0.207 426 Q C 2.481 178.421 176.000 -0.100 0.000 0.984 426 Q CA 1.187 56.973 55.803 -0.028 0.000 0.869 426 Q CB -1.089 27.648 28.738 -0.003 0.000 0.906 426 Q HN 0.560 nan 8.270 nan 0.000 0.426 427 V N 0.405 120.187 119.914 -0.219 0.000 2.332 427 V HA -0.215 3.905 4.120 0.001 0.000 0.248 427 V C 1.121 176.919 176.094 -0.494 0.000 1.055 427 V CA 1.283 63.336 62.300 -0.413 0.000 1.038 427 V CB -0.599 30.792 31.823 -0.720 0.000 0.651 427 V HN 0.190 nan 8.190 nan 0.000 0.450 428 F N 1.705 121.561 119.950 -0.157 0.000 2.668 428 F HA 0.318 4.846 4.527 0.001 0.000 0.365 428 F C 0.549 176.161 175.800 -0.313 0.000 1.165 428 F CA -0.000 57.863 58.000 -0.227 0.000 1.344 428 F CB -0.866 38.013 39.000 -0.203 0.000 1.658 428 F HN 0.157 nan 8.300 nan 0.000 0.620 429 N N 0.048 118.601 118.700 -0.245 0.000 2.425 429 N HA 0.175 4.916 4.740 0.001 0.000 0.289 429 N C 0.186 175.551 175.510 -0.241 0.000 1.074 429 N CA -0.670 52.216 53.050 -0.274 0.000 0.905 429 N CB 0.624 39.045 38.487 -0.110 0.000 1.586 429 N HN -0.045 nan 8.380 nan 0.000 0.490 430 F N 1.694 121.663 119.950 0.033 0.000 2.134 430 F HA -0.076 4.451 4.527 0.001 0.000 0.299 430 F C 2.254 178.073 175.800 0.032 0.000 1.097 430 F CA 0.746 58.764 58.000 0.029 0.000 1.264 430 F CB -0.595 38.416 39.000 0.018 0.000 1.001 430 F HN 0.365 nan 8.300 nan 0.000 0.479 431 V N 0.420 120.438 119.914 0.174 0.000 2.295 431 V HA -0.306 3.815 4.120 0.001 0.000 0.246 431 V C 2.121 178.265 176.094 0.082 0.000 1.049 431 V CA 2.068 64.437 62.300 0.116 0.000 1.024 431 V CB -0.745 31.125 31.823 0.078 0.000 0.648 431 V HN 0.280 nan 8.190 nan 0.000 0.447 432 N N -0.057 118.668 118.700 0.042 0.000 2.205 432 N HA -0.151 4.589 4.740 0.001 0.000 0.186 432 N C 2.090 177.609 175.510 0.015 0.000 1.015 432 N CA 1.694 54.750 53.050 0.011 0.000 0.862 432 N CB -0.509 37.962 38.487 -0.025 0.000 0.986 432 N HN 0.458 nan 8.380 nan 0.000 0.429 433 S N -0.107 115.626 115.700 0.054 0.000 2.355 433 S HA -0.031 4.440 4.470 0.001 0.000 0.222 433 S C 1.983 176.680 174.600 0.161 0.000 1.031 433 S CA 0.817 59.073 58.200 0.094 0.000 0.993 433 S CB -0.368 62.941 63.200 0.182 0.000 0.859 433 S HN 0.066 nan 8.310 nan 0.000 0.453 434 V N 2.424 122.459 119.914 0.201 0.000 2.392 434 V HA -0.101 4.019 4.120 0.001 0.000 0.249 434 V C 2.584 178.807 176.094 0.216 0.000 1.059 434 V CA 1.894 64.341 62.300 0.246 0.000 1.051 434 V CB -0.671 31.253 31.823 0.168 0.000 0.658 434 V HN 0.469 nan 8.190 nan 0.000 0.455 435 E N -0.194 120.067 120.200 0.102 0.000 2.338 435 E HA -0.188 4.162 4.350 0.001 0.000 0.197 435 E C 2.226 178.809 176.600 -0.028 0.000 1.007 435 E CA 0.649 57.078 56.400 0.049 0.000 0.849 435 E CB -0.256 29.460 29.700 0.027 0.000 0.774 435 E HN 0.706 nan 8.360 nan 0.000 0.506 436 Q N -0.328 119.380 119.800 -0.153 0.000 2.181 436 Q HA -0.153 4.187 4.340 0.001 0.000 0.205 436 Q C 0.237 175.991 176.000 -0.410 0.000 0.980 436 Q CA 0.968 56.556 55.803 -0.358 0.000 0.862 436 Q CB -0.237 28.121 28.738 -0.633 0.000 0.905 436 Q HN 0.376 nan 8.270 nan 0.000 0.429 437 Y N 0.868 121.181 120.300 0.022 0.000 2.735 437 Y HA 0.050 4.600 4.550 0.001 0.000 0.354 437 Y C 1.338 177.246 175.900 0.013 0.000 1.288 437 Y CA 0.207 58.317 58.100 0.017 0.000 1.836 437 Y CB -0.483 37.989 38.460 0.020 0.000 1.920 437 Y HN 0.093 nan 8.280 nan 0.000 0.438 438 T N -2.650 111.944 114.554 0.067 0.000 3.067 438 T HA 0.295 4.646 4.350 0.001 0.000 0.257 438 T C 1.211 175.940 174.700 0.048 0.000 1.105 438 T CA 0.157 62.287 62.100 0.050 0.000 1.104 438 T CB -0.037 68.841 68.868 0.016 0.000 0.925 438 T HN 0.435 nan 8.240 nan 0.000 0.498 439 A N 1.761 124.615 122.820 0.056 0.000 2.536 439 A HA 0.444 4.764 4.320 0.001 0.000 0.234 439 A C 0.460 178.069 177.584 0.042 0.000 1.076 439 A CA -0.437 51.626 52.037 0.044 0.000 0.769 439 A CB -0.354 18.677 19.000 0.051 0.000 1.020 439 A HN 0.594 nan 8.150 nan 0.000 0.508 440 L N 1.289 122.527 121.223 0.025 0.000 2.615 440 L HA 0.280 4.621 4.340 0.001 0.000 0.271 440 L C 1.522 178.400 176.870 0.014 0.000 1.183 440 L CA 1.336 56.185 54.840 0.016 0.000 0.933 440 L CB -0.405 41.658 42.059 0.007 0.000 1.199 440 L HN 1.240 nan 8.230 nan 0.000 0.487 441 G N 2.131 110.937 108.800 0.010 0.000 2.176 441 G HA2 -0.190 3.771 3.960 0.001 0.000 0.232 441 G HA3 -0.190 3.771 3.960 0.001 0.000 0.232 441 G C 0.490 175.391 174.900 0.003 0.000 0.986 441 G CA -0.236 44.862 45.100 -0.003 0.000 0.643 441 G HN 0.973 nan 8.290 nan 0.000 0.522 442 G N -0.958 107.864 108.800 0.036 0.000 2.563 442 G HA2 0.503 4.464 3.960 0.001 0.000 0.283 442 G HA3 0.503 4.464 3.960 0.001 0.000 0.283 442 G C 1.020 175.953 174.900 0.055 0.000 1.309 442 G CA 0.912 46.050 45.100 0.063 0.000 1.022 442 G HN 0.539 nan 8.290 nan 0.000 0.501 443 T N 0.277 114.878 114.554 0.078 0.000 3.081 443 T HA 0.337 4.687 4.350 0.001 0.000 0.255 443 T C 1.386 176.155 174.700 0.115 0.000 1.113 443 T CA 0.478 62.623 62.100 0.074 0.000 1.082 443 T CB -0.045 68.850 68.868 0.045 0.000 0.939 443 T HN 0.789 nan 8.240 nan 0.000 0.506 444 A N 1.830 124.737 122.820 0.146 0.000 2.531 444 A HA 0.163 4.484 4.320 0.001 0.000 0.236 444 A C 1.665 179.293 177.584 0.074 0.000 1.062 444 A CA -0.063 52.039 52.037 0.109 0.000 0.760 444 A CB 0.139 19.193 19.000 0.089 0.000 0.995 444 A HN 0.343 nan 8.150 nan 0.000 0.501 445 K N 1.243 121.682 120.400 0.064 0.000 2.089 445 K HA -0.223 4.097 4.320 0.001 0.000 0.210 445 K C 2.250 178.874 176.600 0.040 0.000 1.048 445 K CA 2.184 58.501 56.287 0.051 0.000 0.926 445 K CB -0.190 32.339 32.500 0.047 0.000 0.714 445 K HN 0.932 nan 8.250 nan 0.000 0.448 446 S N -0.197 115.525 115.700 0.036 0.000 2.368 446 S HA -0.134 4.337 4.470 0.001 0.000 0.225 446 S C 2.051 176.667 174.600 0.026 0.000 1.030 446 S CA 1.687 59.904 58.200 0.028 0.000 0.999 446 S CB -0.367 62.847 63.200 0.024 0.000 0.844 446 S HN 0.249 nan 8.310 nan 0.000 0.459 447 S N 1.556 117.276 115.700 0.033 0.000 2.368 447 S HA -0.008 4.462 4.470 0.001 0.000 0.224 447 S C 1.997 176.609 174.600 0.020 0.000 1.029 447 S CA 1.184 59.402 58.200 0.029 0.000 0.988 447 S CB -0.668 62.558 63.200 0.043 0.000 0.838 447 S HN 0.416 nan 8.310 nan 0.000 0.462 448 V N 1.982 121.911 119.914 0.025 0.000 2.343 448 V HA -0.184 3.937 4.120 0.001 0.000 0.247 448 V C 2.540 178.640 176.094 0.011 0.000 1.051 448 V CA 2.073 64.383 62.300 0.016 0.000 1.036 448 V CB -1.364 30.475 31.823 0.026 0.000 0.654 448 V HN 0.512 nan 8.190 nan 0.000 0.451 449 T N -0.272 114.292 114.554 0.017 0.000 2.684 449 T HA -0.217 4.134 4.350 0.001 0.000 0.267 449 T C 1.961 176.665 174.700 0.008 0.000 1.036 449 T CA 2.182 64.290 62.100 0.014 0.000 1.148 449 T CB -0.455 68.424 68.868 0.017 0.000 0.863 449 T HN 0.573 nan 8.240 nan 0.000 0.436 450 T N 2.424 116.983 114.554 0.008 0.000 2.684 450 T HA -0.160 4.190 4.350 0.001 0.000 0.267 450 T C 2.152 176.851 174.700 -0.002 0.000 1.036 450 T CA 1.304 63.406 62.100 0.004 0.000 1.148 450 T CB -0.404 68.467 68.868 0.005 0.000 0.863 450 T HN 0.491 nan 8.240 nan 0.000 0.436 451 Q N 0.278 120.075 119.800 -0.006 0.000 2.112 451 Q HA -0.083 4.258 4.340 0.001 0.000 0.206 451 Q C 2.406 178.397 176.000 -0.016 0.000 0.987 451 Q CA 1.395 57.189 55.803 -0.015 0.000 0.858 451 Q CB -0.492 28.232 28.738 -0.023 0.000 0.905 451 Q HN 0.535 nan 8.270 nan 0.000 0.420 452 I N 0.718 121.281 120.570 -0.012 0.000 2.208 452 I HA -0.293 3.878 4.170 0.001 0.000 0.245 452 I C 2.063 178.176 176.117 -0.007 0.000 1.097 452 I CA 1.335 62.629 61.300 -0.010 0.000 1.363 452 I CB -0.273 37.725 38.000 -0.003 0.000 1.051 452 I HN 0.266 nan 8.210 nan 0.000 0.413 453 E N 0.471 120.669 120.200 -0.004 0.000 2.028 453 E HA -0.246 4.105 4.350 0.001 0.000 0.191 453 E C 2.230 178.827 176.600 -0.005 0.000 0.988 453 E CA 1.048 57.447 56.400 -0.002 0.000 0.799 453 E CB -0.149 29.552 29.700 0.000 0.000 0.755 453 E HN 0.527 nan 8.360 nan 0.000 0.447 454 Q N 0.500 120.296 119.800 -0.007 0.000 2.112 454 Q HA -0.173 4.167 4.340 0.001 0.000 0.206 454 Q C 2.330 178.324 176.000 -0.010 0.000 0.987 454 Q CA 1.156 56.954 55.803 -0.008 0.000 0.858 454 Q CB -0.135 28.597 28.738 -0.011 0.000 0.905 454 Q HN 0.323 nan 8.270 nan 0.000 0.420 455 L N -0.059 121.156 121.223 -0.013 0.000 2.156 455 L HA -0.120 4.220 4.340 0.001 0.000 0.208 455 L C 2.430 179.294 176.870 -0.009 0.000 1.095 455 L CA 0.946 55.778 54.840 -0.014 0.000 0.770 455 L CB -0.395 41.652 42.059 -0.021 0.000 0.914 455 L HN 0.210 nan 8.230 nan 0.000 0.439 456 R N -0.115 120.381 120.500 -0.007 0.000 2.096 456 R HA -0.145 4.196 4.340 0.001 0.000 0.235 456 R C 2.205 178.503 176.300 -0.003 0.000 1.127 456 R CA 1.019 57.117 56.100 -0.004 0.000 0.968 456 R CB -0.075 30.224 30.300 -0.002 0.000 0.861 456 R HN 0.324 nan 8.270 nan 0.000 0.440 457 E N 0.670 120.867 120.200 -0.004 0.000 2.072 457 E HA -0.142 4.209 4.350 0.001 0.000 0.191 457 E C 2.064 178.662 176.600 -0.005 0.000 0.985 457 E CA 0.787 57.185 56.400 -0.004 0.000 0.801 457 E CB -0.191 29.507 29.700 -0.004 0.000 0.750 457 E HN 0.133 nan 8.360 nan 0.000 0.452 458 L N 0.565 121.785 121.223 -0.005 0.000 2.013 458 L HA -0.189 4.152 4.340 0.001 0.000 0.212 458 L C 2.520 179.388 176.870 -0.004 0.000 1.073 458 L CA 1.658 56.496 54.840 -0.005 0.000 0.753 458 L CB -0.473 41.582 42.059 -0.006 0.000 0.890 458 L HN 0.151 nan 8.230 nan 0.000 0.432 459 M N -1.625 117.973 119.600 -0.003 0.000 2.132 459 M HA -0.223 4.257 4.480 0.001 0.000 0.263 459 M C 2.260 178.557 176.300 -0.004 0.000 1.065 459 M CA 1.360 56.659 55.300 -0.002 0.000 1.122 459 M CB -0.318 32.281 32.600 -0.001 0.000 1.365 459 M HN 0.026 nan 8.290 nan 0.000 0.411 460 K N 1.299 121.696 120.400 -0.004 0.000 2.113 460 K HA -0.132 4.188 4.320 0.001 0.000 0.208 460 K C 0.545 177.141 176.600 -0.007 0.000 1.047 460 K CA 1.388 57.672 56.287 -0.005 0.000 0.928 460 K CB -0.039 32.459 32.500 -0.004 0.000 0.716 460 K HN -0.013 nan 8.250 nan 0.000 0.446 461 K N 1.905 122.301 120.400 -0.007 0.000 3.006 461 K HA 0.009 4.329 4.320 0.001 0.000 0.262 461 K C 0.709 177.302 176.600 -0.011 0.000 1.289 461 K CA 0.062 56.343 56.287 -0.009 0.000 1.245 461 K CB 0.483 32.978 32.500 -0.008 0.000 1.614 461 K HN 0.435 nan 8.250 nan 0.000 0.322 462 Q N -0.645 119.147 119.800 -0.013 0.000 2.378 462 Q HA 0.099 4.440 4.340 0.001 0.000 0.216 462 Q C 0.226 176.212 176.000 -0.023 0.000 0.892 462 Q CA 0.332 56.124 55.803 -0.017 0.000 0.931 462 Q CB 0.460 29.189 28.738 -0.016 0.000 1.086 462 Q HN -0.068 nan 8.270 nan 0.000 0.528 463 K N 0.000 120.387 120.400 -0.022 0.000 2.780 463 K HA 0.000 4.321 4.320 0.001 0.000 0.191 463 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 463 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 463 K HN 0.000 nan 8.250 nan 0.000 0.543